6-(4-methoxyphenyl)-3-methyl-1H-indene

C17H16O — CID 10955553

IUPAC6-(4-methoxyphenyl)-3-methyl-1H-indene
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3C)cc1
InChIInChI=1S/C17H16O/c1-12-3-4-15-11-14(7-10-17(12)15)13-5-8-16(18-2)9-6-13/h3,5-11H,4H2,1-2H3
InChIKeySIVWEOAJKAYVAP-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.32
Rot. Bonds2

About 6-(4-methoxyphenyl)-3-methyl-1H-indene

6-(4-methoxyphenyl)-3-methyl-1H-indene (PubChem CID 10955553) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-1H-indene.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-1H-indene
PubChem CID10955553
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name6-(4-methoxyphenyl)-3-methyl-1H-indene
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3C)cc1
InChIInChI=1S/C17H16O/c1-12-3-4-15-11-14(7-10-17(12)15)13-5-8-16(18-2)9-6-13/h3,5-11H,4H2,1-2H3
InChIKeySIVWEOAJKAYVAP-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-1H-indene?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-1H-indene (CID 10955553) is 6-(4-methoxyphenyl)-3-methyl-1H-indene.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-1H-indene?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-1H-indene is COc1ccc(-c2ccc3c(c2)CC=C3C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-1H-indene?
The InChIKey is SIVWEOAJKAYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-3-4-15-11-14(7-10-17(12)15)13-5-8-16(18-2)9-6-13/h3,5-11H,4H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-1H-indene?
6-(4-methoxyphenyl)-3-methyl-1H-indene has a molecular weight of 236.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-1H-indene is sourced from PubChem (CID 10955553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).