(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone

C18H18O3 — CID 114971202

IUPAC(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2CC2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-20-13-8-9-14(17(10-13)21-2)18(19)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3
InChIKeyJJJNMXBRARLDOV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone

(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone (PubChem CID 114971202) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
PubChem CID114971202
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2CC2c2ccccc2)c(OC)c1
InChIInChI=1S/C18H18O3/c1-20-13-8-9-14(17(10-13)21-2)18(19)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3
InChIKeyJJJNMXBRARLDOV-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 105134844
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
trans-(1S,2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6588159
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
(2,4-dimethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385666

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone (CID 114971202) is (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone is COc1ccc(C(=O)C2CC2c2ccccc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is JJJNMXBRARLDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-13-8-9-14(17(10-13)21-2)18(19)16-11-15(16)12-6-4-3-5-7-12/h3-10,15-16H,11H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone?
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 114971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).