3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one

C16H16O3 — CID 171615161

IUPAC3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(O)c(CCC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-11-7-9-15(18)13(16(11)19)8-10-14(17)12-5-3-2-4-6-12/h2-7,9,18-19H,8,10H2,1H3
InChIKeyHJOYQTFKSJSCGA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.22
Rot. Bonds4

About 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one

3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one (PubChem CID 171615161) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
PubChem CID171615161
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(O)c(CCC(=O)c2ccccc2)c1O
InChIInChI=1S/C16H16O3/c1-11-7-9-15(18)13(16(11)19)8-10-14(17)12-5-3-2-4-6-12/h2-7,9,18-19H,8,10H2,1H3
InChIKeyHJOYQTFKSJSCGA-UHFFFAOYSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,6-dihydroxy-3-(methoxymethyl)phenyl]-1-phenylpropan-1-one
CID 171615163
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
2-(2,3-dihydroxy-6-methylanilino)-1-phenylethanone
CID 67924375
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
methanethiol;1-phenylbutan-1-one
CID 143799522
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one (CID 171615161) is 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one is Cc1ccc(O)c(CCC(=O)c2ccccc2)c1O.
What is the InChIKey of 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one?
The InChIKey is HJOYQTFKSJSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-7-9-15(18)13(16(11)19)8-10-14(17)12-5-3-2-4-6-12/h2-7,9,18-19H,8,10H2,1H3.
What are the key properties of 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one?
3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 171615161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).