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

C18H18O3 — CID 65406839

IUPAC2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-20-15-7-8-16(17(11-15)21-2)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3
InChIKeyQIGVNEXHQFJINW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.30
Rot. Bonds4

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

2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone (PubChem CID 65406839) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
PubChem CID65406839
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-20-15-7-8-16(17(11-15)21-2)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3
InChIKeyQIGVNEXHQFJINW-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768
2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
CID 105097775
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone (CID 65406839) is 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2Cc3ccccc3C2)c(OC)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone?
The InChIKey is QIGVNEXHQFJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-15-7-8-16(17(11-15)21-2)18(19)14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone?
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 65406839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).