1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one

C16H16O4 — CID 86236273

IUPAC1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1c(O)ccc(C(=O)CCc2ccccc2)c1O
InChIInChI=1S/C16H16O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-6,8,10,18-19H,7,9H2,1H3
InChIKeyITPFPXSYJTYULR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.92
Rot. Bonds5

About 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one

1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 86236273) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID86236273
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1c(O)ccc(C(=O)CCc2ccccc2)c1O
InChIInChI=1S/C16H16O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-6,8,10,18-19H,7,9H2,1H3
InChIKeyITPFPXSYJTYULR-UHFFFAOYSA-N
XLogP2.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1-(4-hydroxy-3-methoxy-2-nitrophenyl)-4-phenylbutan-1-one
CID 11623825
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(2-methoxy-3,4-dimethylphenyl)-4-phenylbutan-1-one
CID 103434986
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
3-phenyl-1-[2-(2-phenylethynyl)phenyl]propan-1-one
CID 10662743
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
CID 11984203
CID 11984203
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one (CID 86236273) is 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one is COc1c(O)ccc(C(=O)CCc2ccccc2)c1O.
What is the InChIKey of 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is ITPFPXSYJTYULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-6,8,10,18-19H,7,9H2,1H3.
What are the key properties of 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 272.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 86236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).