1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one

C16H16O3 — CID 42607666

IUPAC1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(O)ccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyCSEOFFVAVSWEAR-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one

1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 42607666) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID42607666
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(O)ccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3
InChIKeyCSEOFFVAVSWEAR-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
CID 170896098
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
CID 10684981
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one (CID 42607666) is 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one is COc1cc(O)ccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is CSEOFFVAVSWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3.
What are the key properties of 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one?
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 42607666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).