1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone

C15H13ClO3 — CID 10850109

IUPAC1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H13ClO3/c1-10(17)11-6-7-15(14(18)8-11)19-9-12-4-2-3-5-13(12)16/h2-8,18H,9H2,1H3
InChIKeyMJHBCEUJSQLSIM-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone

1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone (PubChem CID 10850109) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
PubChem CID10850109
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H13ClO3/c1-10(17)11-6-7-15(14(18)8-11)19-9-12-4-2-3-5-13(12)16/h2-8,18H,9H2,1H3
InChIKeyMJHBCEUJSQLSIM-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
1-[3-[(2-chlorophenyl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 60624649
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
N-[3-acetyl-4-[(2-chlorophenyl)methoxy]phenyl]butanamide
CID 31471763
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone (CID 10850109) is 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone is CC(=O)c1ccc(OCc2ccccc2Cl)c(O)c1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone?
The InChIKey is MJHBCEUJSQLSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10(17)11-6-7-15(14(18)8-11)19-9-12-4-2-3-5-13(12)16/h2-8,18H,9H2,1H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone?
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone has a molecular weight of 276.72 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone is sourced from PubChem (CID 10850109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).