(3-bromo-5-methoxyphenyl)-phenylmethanone

C14H11BrO2 — CID 169228126

IUPAC(3-bromo-5-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(Br)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H11BrO2/c1-17-13-8-11(7-12(15)9-13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNCUWZQTWNUTLLG-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.69
Rot. Bonds3

About (3-bromo-5-methoxyphenyl)-phenylmethanone

(3-bromo-5-methoxyphenyl)-phenylmethanone (PubChem CID 169228126) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is (3-bromo-5-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-5-methoxyphenyl)-phenylmethanone
PubChem CID169228126
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name(3-bromo-5-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(Br)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C14H11BrO2/c1-17-13-8-11(7-12(15)9-13)14(16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNCUWZQTWNUTLLG-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methoxyphenyl)-phenylmethanone?
The IUPAC name of (3-bromo-5-methoxyphenyl)-phenylmethanone (CID 169228126) is (3-bromo-5-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-5-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (3-bromo-5-methoxyphenyl)-phenylmethanone is COc1cc(Br)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-bromo-5-methoxyphenyl)-phenylmethanone?
The InChIKey is NCUWZQTWNUTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-17-13-8-11(7-12(15)9-13)14(16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (3-bromo-5-methoxyphenyl)-phenylmethanone?
(3-bromo-5-methoxyphenyl)-phenylmethanone has a molecular weight of 291.14 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 169228126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).