1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone

C15H14O4 — CID 15126648

IUPAC1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C15H14O4/c1-19-12-4-2-3-10(7-12)8-14(17)13-6-5-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKeyZLHIZVIKOIKMAB-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.53
Rot. Bonds4

About 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone

1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 15126648) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID15126648
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(O)cc2O)c1
InChIInChI=1S/C15H14O4/c1-19-12-4-2-3-10(7-12)8-14(17)13-6-5-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKeyZLHIZVIKOIKMAB-UHFFFAOYSA-N
XLogP2.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
CID 161326312
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethanone
CID 79217516

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 15126648) is 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(O)cc2O)c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is ZLHIZVIKOIKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-19-12-4-2-3-10(7-12)8-14(17)13-6-5-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 258.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 15126648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).