3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one

C16H16O3 — CID 13045747

IUPAC3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C16H16O3/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-7,9-10,17H,8,11H2,1H3
InChIKeyAFBIFHWAZJFTDP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.22
Rot. Bonds5

About 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one

3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 13045747) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID13045747
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C16H16O3/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-7,9-10,17H,8,11H2,1H3
InChIKeyAFBIFHWAZJFTDP-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

N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
methyl 3-hydroxy-4-(3-oxo-3-phenylpropyl)benzoate
CID 134845595
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one (CID 13045747) is 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCc2ccccc2O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is AFBIFHWAZJFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-7,9-10,17H,8,11H2,1H3.
What are the key properties of 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-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 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 13045747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).