(4-bromophenyl)-(3-methoxyphenyl)methanone

C14H11BrO2 — CID 2757032

IUPAC(4-bromophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9H,1H3
InChIKeyXKJUSMRRMJSDMQ-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.69
Rot. Bonds3

About (4-bromophenyl)-(3-methoxyphenyl)methanone

(4-bromophenyl)-(3-methoxyphenyl)methanone (PubChem CID 2757032) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is (4-bromophenyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-methoxyphenyl)methanone
PubChem CID2757032
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name(4-bromophenyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9H,1H3
InChIKeyXKJUSMRRMJSDMQ-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

sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
CID 15366242
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(3-methoxyphenyl)methanone (CID 2757032) is (4-bromophenyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)-(3-methoxyphenyl)methanone?
The InChIKey is XKJUSMRRMJSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9H,1H3.
What are the key properties of (4-bromophenyl)-(3-methoxyphenyl)methanone?
(4-bromophenyl)-(3-methoxyphenyl)methanone 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 (4-bromophenyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 2757032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).