2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene

C23H22O4 — CID 70992735

IUPAC2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene
SMILESCOc1cc(C2(C)CC(C)c3ccc4ccccc4c3O2)cc2c1OCO2
InChIInChI=1S/C23H22O4/c1-14-12-23(2,16-10-19(24-3)22-20(11-16)25-13-26-22)27-21-17(14)9-8-15-6-4-5-7-18(15)21/h4-11,14H,12-13H2,1-3H3
InChIKeySZZOZTYMHBUFHO-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.38
Rot. Bonds2

About 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene

2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene (PubChem CID 70992735) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene.

Molecular Properties

Compound Name2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene
PubChem CID70992735
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene
SMILESCOc1cc(C2(C)CC(C)c3ccc4ccccc4c3O2)cc2c1OCO2
InChIInChI=1S/C23H22O4/c1-14-12-23(2,16-10-19(24-3)22-20(11-16)25-13-26-22)27-21-17(14)9-8-15-6-4-5-7-18(15)21/h4-11,14H,12-13H2,1-3H3
InChIKeySZZOZTYMHBUFHO-UHFFFAOYSA-N
XLogP5.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene?
The IUPAC name of 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene (CID 70992735) is 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene.
What is the SMILES notation for 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene?
The canonical SMILES for 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene is COc1cc(C2(C)CC(C)c3ccc4ccccc4c3O2)cc2c1OCO2.
What is the InChIKey of 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene?
The InChIKey is SZZOZTYMHBUFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-14-12-23(2,16-10-19(24-3)22-20(11-16)25-13-26-22)27-21-17(14)9-8-15-6-4-5-7-18(15)21/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene?
2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene has a molecular weight of 362.43 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,3-benzodioxol-5-yl)-2,4-dimethyl-3,4-dihydrobenzo[h]chromene is sourced from PubChem (CID 70992735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).