(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone

C24H23BrO4 — CID 22897761

IUPAC(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
SMILESCCCOc1ccc(Br)c(C(=O)c2ccc(OC)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H23BrO4/c1-3-13-28-19-10-12-22(25)21(14-19)24(26)20-11-9-18(27-2)15-23(20)29-16-17-7-5-4-6-8-17/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyHJNOLPROUJEBOU-UHFFFAOYSA-N
MW455.35 g/mol
LogP6.06
Rot. Bonds9

About (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone

(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone (PubChem CID 22897761) has the molecular formula C24H23BrO4 and a molecular weight of 455.35 g/mol. Its IUPAC name is (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
PubChem CID22897761
Molecular FormulaC24H23BrO4
Molecular Weight455.35 g/mol
Exact Mass454.08
IUPAC Name(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone
SMILESCCCOc1ccc(Br)c(C(=O)c2ccc(OC)cc2OCc2ccccc2)c1
InChIInChI=1S/C24H23BrO4/c1-3-13-28-19-10-12-22(25)21(14-19)24(26)20-11-9-18(27-2)15-23(20)29-16-17-7-5-4-6-8-17/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyHJNOLPROUJEBOU-UHFFFAOYSA-N
XLogP6.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(4-butoxy-2-phenylmethoxyphenyl)ethanone
CID 139559458
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
CID 20685342
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone?
The IUPAC name of (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone (CID 22897761) is (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone is CCCOc1ccc(Br)c(C(=O)c2ccc(OC)cc2OCc2ccccc2)c1.
What is the InChIKey of (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone?
The InChIKey is HJNOLPROUJEBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrO4/c1-3-13-28-19-10-12-22(25)21(14-19)24(26)20-11-9-18(27-2)15-23(20)29-16-17-7-5-4-6-8-17/h4-12,14-15H,3,13,16H2,1-2H3.
What are the key properties of (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone?
(2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone has a molecular weight of 455.35 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-propoxyphenyl)-(4-methoxy-2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 22897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).