1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone

C16H15ClO4 — CID 58913540

IUPAC1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)c(O)c(C)c2O)cc1
InChIInChI=1S/C16H15ClO4/c1-9-15(19)12(8-13(17)16(9)20)14(18)7-10-3-5-11(21-2)6-4-10/h3-6,8,19-20H,7H2,1-2H3
InChIKeyRYTBZSUACNUOOZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone

1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 58913540) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID58913540
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)c(O)c(C)c2O)cc1
InChIInChI=1S/C16H15ClO4/c1-9-15(19)12(8-13(17)16(9)20)14(18)7-10-3-5-11(21-2)6-4-10/h3-6,8,19-20H,7H2,1-2H3
InChIKeyRYTBZSUACNUOOZ-UHFFFAOYSA-N
XLogP3.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone (CID 58913540) is 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)c(O)c(C)c2O)cc1.
What is the InChIKey of 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is RYTBZSUACNUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-9-15(19)12(8-13(17)16(9)20)14(18)7-10-3-5-11(21-2)6-4-10/h3-6,8,19-20H,7H2,1-2H3.
What are the key properties of 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone?
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 306.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 58913540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).