(4-hydroxy-2-methyl-5-phenylphenyl) acetate

C15H14O3 — CID 10728858

IUPAC(4-hydroxy-2-methyl-5-phenylphenyl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)c(O)cc1C
InChIInChI=1S/C15H14O3/c1-10-8-14(17)13(9-15(10)18-11(2)16)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyODJQQMRBANRLDU-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.29
Rot. Bonds2

About (4-hydroxy-2-methyl-5-phenylphenyl) acetate

(4-hydroxy-2-methyl-5-phenylphenyl) acetate (PubChem CID 10728858) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (4-hydroxy-2-methyl-5-phenylphenyl) acetate.

Molecular Properties

Compound Name(4-hydroxy-2-methyl-5-phenylphenyl) acetate
PubChem CID10728858
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(4-hydroxy-2-methyl-5-phenylphenyl) acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)c(O)cc1C
InChIInChI=1S/C15H14O3/c1-10-8-14(17)13(9-15(10)18-11(2)16)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyODJQQMRBANRLDU-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(2,4-diphenylphenyl) acetate
CID 57057849
(2-chloro-3-phenylphenyl) acetate
CID 54501671
(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381
[3-methyl-6,7-bis(methylsulfanyl)-4-phenylnaphthalen-1-yl] acetate
CID 69097295
[2,5-dimethyl-4-(4-sulfanylidene-3,1-benzoxazin-2-yl)phenyl] acetate
CID 118509695
(2-amino-5-phenylthiophen-3-yl) acetate
CID 174546159
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methyl-5-phenylphenyl) acetate?
The IUPAC name of (4-hydroxy-2-methyl-5-phenylphenyl) acetate (CID 10728858) is (4-hydroxy-2-methyl-5-phenylphenyl) acetate.
What is the SMILES notation for (4-hydroxy-2-methyl-5-phenylphenyl) acetate?
The canonical SMILES for (4-hydroxy-2-methyl-5-phenylphenyl) acetate is CC(=O)Oc1cc(-c2ccccc2)c(O)cc1C.
What is the InChIKey of (4-hydroxy-2-methyl-5-phenylphenyl) acetate?
The InChIKey is ODJQQMRBANRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-8-14(17)13(9-15(10)18-11(2)16)12-6-4-3-5-7-12/h3-9,17H,1-2H3.
What are the key properties of (4-hydroxy-2-methyl-5-phenylphenyl) acetate?
(4-hydroxy-2-methyl-5-phenylphenyl) acetate has a molecular weight of 242.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methyl-5-phenylphenyl) acetate is sourced from PubChem (CID 10728858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).