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

C16H15ClO3 — CID 11243259

IUPAC1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C)c1O
InChIInChI=1S/C16H15ClO3/c1-10-15(8-7-14(11(2)18)16(10)19)20-9-12-3-5-13(17)6-4-12/h3-8,19H,9H2,1-2H3
InChIKeyKNLUPAFOHHOXNJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.14
Rot. Bonds4

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

1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone (PubChem CID 11243259) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
PubChem CID11243259
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C)c1O
InChIInChI=1S/C16H15ClO3/c1-10-15(8-7-14(11(2)18)16(10)19)20-9-12-3-5-13(17)6-4-12/h3-8,19H,9H2,1-2H3
InChIKeyKNLUPAFOHHOXNJ-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
CID 23219702
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetic acid
CID 21287011
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
3-acetyl-2-hydroxy-6-[(4-methylphenyl)methoxy]benzonitrile
CID 143234153
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431
2-(6-acetyl-2-methyl-3-phenylmethoxyphenyl)acetic acid
CID 91863973
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
CID 16736967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone (CID 11243259) is 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Cl)cc2)c(C)c1O.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone?
The InChIKey is KNLUPAFOHHOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10-15(8-7-14(11(2)18)16(10)19)20-9-12-3-5-13(17)6-4-12/h3-8,19H,9H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone?
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone has a molecular weight of 290.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone is sourced from PubChem (CID 11243259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).