3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C61H89NO2 — CID 158899532

IUPAC3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C16H24.C15H23N.C15H22O.C15H20O/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyJFGJGERBOCYEBF-UHFFFAOYSA-N
MW868.39 g/mol
LogP16.41
Rot. Bonds8

About 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 158899532) has the molecular formula C61H89NO2 and a molecular weight of 868.39 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID158899532
Molecular FormulaC61H89NO2
Molecular Weight868.39 g/mol
Exact Mass867.69
IUPAC Name3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2
InChIInChI=1S/C16H24.C15H23N.C15H22O.C15H20O/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyJFGJGERBOCYEBF-UHFFFAOYSA-N
XLogP16.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.39
LogP ≤ 516.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 161438279
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
5-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-dihydro-2-benzofuran;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 159794992
1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 153348951
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523545
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine
CID 91107611
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 167208946
9-cyclopropyl-4,7-di(propan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 171608221
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;7-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523041

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 158899532) is 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)C1=Cc2cc(C(C)C)ccc2OC1.CC(C)c1ccc2c(c1)CC(C(C)C)CC2.CC(C)c1ccc2c(c1)CC(C(C)C)CO2.CC(C)c1ccc2c(c1)CN(C(C)C)CC2.
What is the InChIKey of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JFGJGERBOCYEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C15H23N.C15H22O.C15H20O/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;1-11(2)14-6-5-13-7-8-16(12(3)4)10-15(13)9-14;2*1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h5,7,9,11-12,15H,6,8,10H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 868.39 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).