[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone

C16H16O3 — CID 168803173

IUPAC[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)cc2)ccc1CO
InChIInChI=1S/C16H16O3/c1-11-3-5-12(6-4-11)16(18)13-7-8-14(10-17)15(9-13)19-2/h3-9,17H,10H2,1-2H3
InChIKeyQAQSSEIJYNCSPY-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.73
Rot. Bonds4

About [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone

[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone (PubChem CID 168803173) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone
PubChem CID168803173
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)cc2)ccc1CO
InChIInChI=1S/C16H16O3/c1-11-3-5-12(6-4-11)16(18)13-7-8-14(10-17)15(9-13)19-2/h3-9,17H,10H2,1-2H3
InChIKeyQAQSSEIJYNCSPY-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylsulfanylphenyl)methanone
CID 168803174
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone (CID 168803173) is [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone is COc1cc(C(=O)c2ccc(C)cc2)ccc1CO.
What is the InChIKey of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone?
The InChIKey is QAQSSEIJYNCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-3-5-12(6-4-11)16(18)13-7-8-14(10-17)15(9-13)19-2/h3-9,17H,10H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone?
[4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone has a molecular weight of 256.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-methoxyphenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 168803173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).