(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone

C17H15BrO2 — CID 105134844

IUPAC(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(Br)c(C(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C17H15BrO2/c1-20-12-7-8-16(18)15(9-12)17(19)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3
InChIKeySEEADVUQEUOAMM-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.44
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone

(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone (PubChem CID 105134844) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
PubChem CID105134844
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone
SMILESCOc1ccc(Br)c(C(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C17H15BrO2/c1-20-12-7-8-16(18)15(9-12)17(19)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3
InChIKeySEEADVUQEUOAMM-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
(2-bromo-5-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 105105211
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
(2-bromofuran-3-yl)-(2-phenylcyclopropyl)methanone
CID 106856807
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(4-bromo-3-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 106764298
trans-(1S,2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6588159
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(E)-1-(2-bromo-5-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 166437631

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone (CID 105134844) is (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone is COc1ccc(Br)c(C(=O)C2CC2c2ccccc2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is SEEADVUQEUOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-20-12-7-8-16(18)15(9-12)17(19)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone?
(2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 331.21 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 105134844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).