7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one

C17H16O2 — CID 171619861

IUPAC7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
SMILESCc1ccc(OCc2ccccc2)c2c1C(=O)CC2
InChIInChI=1S/C17H16O2/c1-12-7-10-16(14-8-9-15(18)17(12)14)19-11-13-5-3-2-4-6-13/h2-7,10H,8-9,11H2,1H3
InChIKeyLFQNSECZZSSFJZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.70
Rot. Bonds3

About 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one

7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one (PubChem CID 171619861) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
PubChem CID171619861
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
SMILESCc1ccc(OCc2ccccc2)c2c1C(=O)CC2
InChIInChI=1S/C17H16O2/c1-12-7-10-16(14-8-9-15(18)17(12)14)19-11-13-5-3-2-4-6-13/h2-7,10H,8-9,11H2,1H3
InChIKeyLFQNSECZZSSFJZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
(E)-3-(1-oxo-7-phenylmethoxy-2,3-dihydroinden-4-yl)prop-2-enoic acid
CID 118184951
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 157206888
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 102362654
(5R)-5-amino-1-[[(2S)-oxiran-2-yl]methoxy]-4-phenylmethoxy-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 142109066
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one (CID 171619861) is 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one is Cc1ccc(OCc2ccccc2)c2c1C(=O)CC2.
What is the InChIKey of 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one?
The InChIKey is LFQNSECZZSSFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-7-10-16(14-8-9-15(18)17(12)14)19-11-13-5-3-2-4-6-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one?
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 171619861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).