1,7-dimethoxy-2-methyl-3-phenyl-1H-indene

C18H18O2 — CID 101034746

IUPAC1,7-dimethoxy-2-methyl-3-phenyl-1H-indene
SMILESCOc1cccc2c1C(OC)C(C)=C2c1ccccc1
InChIInChI=1S/C18H18O2/c1-12-16(13-8-5-4-6-9-13)14-10-7-11-15(19-2)17(14)18(12)20-3/h4-11,18H,1-3H3
InChIKeyDMHVBZMIQSXKMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.22
Rot. Bonds3

About 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene

1,7-dimethoxy-2-methyl-3-phenyl-1H-indene (PubChem CID 101034746) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene.

Molecular Properties

Compound Name1,7-dimethoxy-2-methyl-3-phenyl-1H-indene
PubChem CID101034746
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1,7-dimethoxy-2-methyl-3-phenyl-1H-indene
SMILESCOc1cccc2c1C(OC)C(C)=C2c1ccccc1
InChIInChI=1S/C18H18O2/c1-12-16(13-8-5-4-6-9-13)14-10-7-11-15(19-2)17(14)18(12)20-3/h4-11,18H,1-3H3
InChIKeyDMHVBZMIQSXKMM-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101034748
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1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
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1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
1-methoxy-2-phenylbenzene;2-methylthiophene
CID 174457563
3-(2-methoxyphenyl)benzoic acid
CID 2759547
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
N-[3-(2-methoxyphenyl)phenyl]-N-oxidohydroxylamine
CID 143810064
1-ethyl-2,5-bis(2-methoxyphenyl)-1-methyl-3,4-diphenylsilole
CID 54471201
2-methoxy-1,3-diphenylbenzene
CID 23524590

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene?
The IUPAC name of 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene (CID 101034746) is 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene.
What is the SMILES notation for 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene?
The canonical SMILES for 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene is COc1cccc2c1C(OC)C(C)=C2c1ccccc1.
What is the InChIKey of 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene?
The InChIKey is DMHVBZMIQSXKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-16(13-8-5-4-6-9-13)14-10-7-11-15(19-2)17(14)18(12)20-3/h4-11,18H,1-3H3.
What are the key properties of 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene?
1,7-dimethoxy-2-methyl-3-phenyl-1H-indene has a molecular weight of 266.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-2-methyl-3-phenyl-1H-indene is sourced from PubChem (CID 101034746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).