1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone

C23H21ClO3 — CID 143194278

IUPAC1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(C)(OCc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClO3/c1-16(25)21-5-3-4-6-22(21)23(2,18-9-11-19(24)12-10-18)27-15-17-7-13-20(26)14-8-17/h3-14,26H,15H2,1-2H3
InChIKeyYRQWHGRLFRFUKT-UHFFFAOYSA-N
MW380.87 g/mol
LogP5.73
Rot. Bonds6

About 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone

1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone (PubChem CID 143194278) has the molecular formula C23H21ClO3 and a molecular weight of 380.87 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone
PubChem CID143194278
Molecular FormulaC23H21ClO3
Molecular Weight380.87 g/mol
Exact Mass380.12
IUPAC Name1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(C)(OCc1ccc(O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClO3/c1-16(25)21-5-3-4-6-22(21)23(2,18-9-11-19(24)12-10-18)27-15-17-7-13-20(26)14-8-17/h3-14,26H,15H2,1-2H3
InChIKeyYRQWHGRLFRFUKT-UHFFFAOYSA-N
XLogP5.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.87
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
3-(2-acetylphenyl)-3-methylbutan-2-one
CID 90248723
2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
CID 154165073
methyl 2-(2-acetylphenyl)-2-methylpropanoate
CID 10608941
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
CID 160581245
2-(4-chlorophenyl)-2-phenylmethoxypent-3-ynoic acid
CID 57304576
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259
azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
CID 173433040
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone (CID 143194278) is 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone is CC(=O)c1ccccc1C(C)(OCc1ccc(O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone?
The InChIKey is YRQWHGRLFRFUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO3/c1-16(25)21-5-3-4-6-22(21)23(2,18-9-11-19(24)12-10-18)27-15-17-7-13-20(26)14-8-17/h3-14,26H,15H2,1-2H3.
What are the key properties of 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone?
1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone has a molecular weight of 380.87 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)-1-[(4-hydroxyphenyl)methoxy]ethyl]phenyl]ethanone is sourced from PubChem (CID 143194278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).