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

C16H16O3 — CID 12503889

IUPAC1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(=O)CCc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-19-15-9-5-8-13(16(15)18)14(17)11-10-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3
InChIKeyALFUDNAXEDQNLH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.22
Rot. Bonds5

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

1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 12503889) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID12503889
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(=O)CCc2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-19-15-9-5-8-13(16(15)18)14(17)11-10-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3
InChIKeyALFUDNAXEDQNLH-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-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
1-(2-methoxy-6-sulfanylphenyl)-3-phenylpropan-1-one
CID 67135833
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one (CID 12503889) is 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one is COc1cccc(C(=O)CCc2ccccc2)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is ALFUDNAXEDQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-15-9-5-8-13(16(15)18)14(17)11-10-12-6-3-2-4-7-12/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one?
1-(2-hydroxy-3-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-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 12503889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).