4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C137H150O23 — CID 161200550

IUPAC4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1cc2c(c3ccccc13)OCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c3c(ccc2c1)OCO3.CC(C)c1ccc2cc3c(cc2c1)OCO3.CC(C)c1ccc2ccc3c(c2c1)OCO3.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2c3c(ccc12)OCO3.CC(C)c1cccc2ccc3c(c12)OCO3.COc1cc(C(C)C)cc2c1OCO2.Cc1cc(C(C)C)cc2c1OCO2
InChIInChI=1S/6C14H14O2.C11H14O3.2C11H14O2.2C10H12O2/c1-9(2)10-3-5-12-11(7-10)4-6-13-14(12)16-8-15-13;1-9(2)10-3-4-11-6-13-14(16-8-15-13)7-12(11)5-10;1-9(2)11-4-3-10-5-6-13-14(12(10)7-11)16-8-15-13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)11-5-3-4-10-6-7-12-14(13(10)11)16-8-15-12;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-7(2)8-4-9(12-3)11-10(5-8)13-6-14-11;1-7(2)9-4-8(3)11-10(5-9)12-6-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6*3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyUUXORMXFRCOCRC-UHFFFAOYSA-N
MW2164.68 g/mol
LogP35.20
Rot. Bonds12

About 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 161200550) has the molecular formula C137H150O23 and a molecular weight of 2164.68 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID161200550
Molecular FormulaC137H150O23
Molecular Weight2164.68 g/mol
Exact Mass2163.06
IUPAC Name4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1cc2c(c3ccccc13)OCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c3c(ccc2c1)OCO3.CC(C)c1ccc2cc3c(cc2c1)OCO3.CC(C)c1ccc2ccc3c(c2c1)OCO3.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2c3c(ccc12)OCO3.CC(C)c1cccc2ccc3c(c12)OCO3.COc1cc(C(C)C)cc2c1OCO2.Cc1cc(C(C)C)cc2c1OCO2
InChIInChI=1S/6C14H14O2.C11H14O3.2C11H14O2.2C10H12O2/c1-9(2)10-3-5-12-11(7-10)4-6-13-14(12)16-8-15-13;1-9(2)10-3-4-11-6-13-14(16-8-15-13)7-12(11)5-10;1-9(2)11-4-3-10-5-6-13-14(12(10)7-11)16-8-15-13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)11-5-3-4-10-6-7-12-14(13(10)11)16-8-15-12;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-7(2)8-4-9(12-3)11-10(5-8)13-6-14-11;1-7(2)9-4-8(3)11-10(5-9)12-6-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6*3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyUUXORMXFRCOCRC-UHFFFAOYSA-N
XLogP35.20
TPSA212.29 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.68
LogP ≤ 535.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-ylbenzo[g][1,3]benzodioxole
CID 20616814
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
4-tert-butyl-1,3-benzodioxole;6-tert-butyl-4-methoxy-1,3-benzodioxole;6-tert-butyl-4-methyl-1,3-benzodioxole;7-tert-butyl-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 157215467
2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene
CID 70992735
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60590247
1,6-di(propan-2-yl)naphthalene
CID 3016596
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
2-[2-(1,3-benzodioxol-5-yl)propyl]-4-propan-2-yl-1,3-benzodioxole
CID 146494272
1-chloro-2-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylbenzonitrile
CID 162257692
5-methylbenzo[g][1,3]benzodioxole
CID 90367464

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 161200550) is 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is CC(C)c1cc2c(c3ccccc13)OCO2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c3c(ccc2c1)OCO3.CC(C)c1ccc2cc3c(cc2c1)OCO3.CC(C)c1ccc2ccc3c(c2c1)OCO3.CC(C)c1cccc2c1OCO2.CC(C)c1cccc2c3c(ccc12)OCO3.CC(C)c1cccc2ccc3c(c12)OCO3.COc1cc(C(C)C)cc2c1OCO2.Cc1cc(C(C)C)cc2c1OCO2.
What is the InChIKey of 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is UUXORMXFRCOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H14O2.C11H14O3.2C11H14O2.2C10H12O2/c1-9(2)10-3-5-12-11(7-10)4-6-13-14(12)16-8-15-13;1-9(2)10-3-4-11-6-13-14(16-8-15-13)7-12(11)5-10;1-9(2)11-4-3-10-5-6-13-14(12(10)7-11)16-8-15-13;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)16-8-15-13;1-9(2)11-5-3-4-10-6-7-12-14(13(10)11)16-8-15-12;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-7(2)8-4-9(12-3)11-10(5-8)13-6-14-11;1-7(2)9-4-8(3)11-10(5-9)12-6-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h6*3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;2*3-5,7H,6H2,1-2H3.
What are the key properties of 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 2164.68 g/mol, XLogP of 35.20, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 161200550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).