(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate

C16H16O3 — CID 16751644

IUPAC(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-11-15(13-6-4-3-5-7-13)9-8-14(16(11)18)10-19-12(2)17/h3-9,18H,10H2,1-2H3
InChIKeyTVXLOIUWKZUKGO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.43
Rot. Bonds3

About (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate

(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate (PubChem CID 16751644) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate.

Molecular Properties

Compound Name(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
PubChem CID16751644
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-11-15(13-6-4-3-5-7-13)9-8-14(16(11)18)10-19-12(2)17/h3-9,18H,10H2,1-2H3
InChIKeyTVXLOIUWKZUKGO-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-3-phenylphenol
CID 175328726
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
(3-benzoyl-2-hydroxyphenyl)methyl acetate
CID 141325026
ethane;(2-methylphenyl)methyl acetate
CID 143177732
benzyl acetate
CID 8785
(3-phenyl-2-pyridinyl)methyl acetate
CID 10633060
(1-phenylacenaphthylen-3-yl)methyl acetate
CID 22172396
(2-acetyl-3-fluoro-4-phenylphenyl)methyl propanoate
CID 174373127
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2,4-dihydroxyphenyl)methyl acetate
CID 102447193
[5-(acetyloxymethyl)-3-bromo-2,4-dimethylphenyl]methyl acetate
CID 86673308
(2-sulfanylphenyl)methyl acetate
CID 118370744

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate?
The IUPAC name of (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate (CID 16751644) is (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate.
What is the SMILES notation for (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate?
The canonical SMILES for (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate is CC(=O)OCc1ccc(-c2ccccc2)c(C)c1O.
What is the InChIKey of (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate?
The InChIKey is TVXLOIUWKZUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-15(13-6-4-3-5-7-13)9-8-14(16(11)18)10-19-12(2)17/h3-9,18H,10H2,1-2H3.
What are the key properties of (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate?
(2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate has a molecular weight of 256.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methyl-4-phenylphenyl)methyl acetate is sourced from PubChem (CID 16751644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).