(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

C18H19BrO2 — CID 115368731

IUPAC(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H19BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeySHJFREYGZAYBFL-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.89
Rot. Bonds5

About (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 115368731) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID115368731
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H19BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeySHJFREYGZAYBFL-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
CID 116917510
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573
4-(4-bromobenzoyl)-3-methoxybenzenesulfonic acid
CID 139945454
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
methyl (2S)-2-amino-3-[4-(2,5-dibromobenzoyl)phenyl]propanoate
CID 10026290

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 115368731) is (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is COc1cc(Br)ccc1C(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is SHJFREYGZAYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12(2)10-13-4-6-14(7-5-13)18(20)16-9-8-15(19)11-17(16)21-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 347.25 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 115368731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).