(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

C17H15ClO2 — CID 106892546

IUPAC(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H15ClO2/c1-20-16-7-6-13(10-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14H,8-9H2,1H3
InChIKeyPLGSWQZYUSVUPI-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.95
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106892546) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106892546
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H15ClO2/c1-20-16-7-6-13(10-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14H,8-9H2,1H3
InChIKeyPLGSWQZYUSVUPI-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282
(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154431
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2,3-dihydro-1-benzothiophene-2-carboxylate
CID 55487886
1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 43228016

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 106892546) is (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is COc1ccc(C(=O)C2Cc3ccccc3C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is PLGSWQZYUSVUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-20-16-7-6-13(10-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14H,8-9H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106892546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).