(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone

C17H16O2 — CID 163828161

IUPAC(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
SMILESCOc1cc2c(cc1C(=O)c1ccccc1)CCC2
InChIInChI=1S/C17H16O2/c1-19-16-11-14-9-5-8-13(14)10-15(16)17(18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyOBJALKKAIUYSII-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.41
Rot. Bonds3

About (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone

(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone (PubChem CID 163828161) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
PubChem CID163828161
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
SMILESCOc1cc2c(cc1C(=O)c1ccccc1)CCC2
InChIInChI=1S/C17H16O2/c1-19-16-11-14-9-5-8-13(14)10-15(16)17(18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyOBJALKKAIUYSII-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
2,3-dihydro-1H-inden-5-yl-(5-iodo-2-methoxyphenyl)methanone
CID 43339712
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
5-benzoyl-4-methoxy-2-methylbenzenesulfonic acid
CID 54230664
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
CID 154112052

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone?
The IUPAC name of (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone (CID 163828161) is (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone.
What is the SMILES notation for (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone?
The canonical SMILES for (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone is COc1cc2c(cc1C(=O)c1ccccc1)CCC2.
What is the InChIKey of (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone?
The InChIKey is OBJALKKAIUYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-16-11-14-9-5-8-13(14)10-15(16)17(18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone?
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone has a molecular weight of 252.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone is sourced from PubChem (CID 163828161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).