1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one

C18H20O4 — CID 15747330

IUPAC1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(OC)c(C(=O)CCc2ccccc2)c(O)c1C
InChIInChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3
InChIKeyACLIVQJKNNTVHO-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.53
Rot. Bonds6

About 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one

1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one (PubChem CID 15747330) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
PubChem CID15747330
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(OC)c(C(=O)CCc2ccccc2)c(O)c1C
InChIInChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3
InChIKeyACLIVQJKNNTVHO-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1-(2-methoxy-6-sulfanylphenyl)-3-phenylpropan-1-one
CID 67135833
1-[2,6-dihydroxy-4-(hydroxymethyl)-3-methylphenyl]-3-phenylpropan-1-one
CID 58663400
1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
3-phenyl-1-(2,4,5-trihydroxy-3-methoxyphenyl)propan-1-one
CID 162898862
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-methylphenyl)propan-1-one
CID 118655300
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
CID 146011150
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
1-(2-hydroxy-3,4-dimethoxy-6-phenylmethoxyphenyl)dodecan-1-one
CID 14873626
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
CID 91352605

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one (CID 15747330) is 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one is COc1cc(OC)c(C(=O)CCc2ccccc2)c(O)c1C.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is ACLIVQJKNNTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-8,11,20H,9-10H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one?
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 300.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 15747330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).