(3-methyl-4-phenylmethoxyphenyl) acetate

C16H16O3 — CID 129245175

IUPAC(3-methyl-4-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)c(C)c1
InChIInChI=1S/C16H16O3/c1-12-10-15(19-13(2)17)8-9-16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyDNLWBYJDCLEJGH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds4

About (3-methyl-4-phenylmethoxyphenyl) acetate

(3-methyl-4-phenylmethoxyphenyl) acetate (PubChem CID 129245175) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3-methyl-4-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(3-methyl-4-phenylmethoxyphenyl) acetate
PubChem CID129245175
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(3-methyl-4-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)c(C)c1
InChIInChI=1S/C16H16O3/c1-12-10-15(19-13(2)17)8-9-16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyDNLWBYJDCLEJGH-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
[4-[[2-(aminooxymethyl)phenyl]methoxy]-3-methylphenyl] acetate
CID 70141463
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylmethoxyphenyl) acetate?
The IUPAC name of (3-methyl-4-phenylmethoxyphenyl) acetate (CID 129245175) is (3-methyl-4-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (3-methyl-4-phenylmethoxyphenyl) acetate?
The canonical SMILES for (3-methyl-4-phenylmethoxyphenyl) acetate is CC(=O)Oc1ccc(OCc2ccccc2)c(C)c1.
What is the InChIKey of (3-methyl-4-phenylmethoxyphenyl) acetate?
The InChIKey is DNLWBYJDCLEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-10-15(19-13(2)17)8-9-16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of (3-methyl-4-phenylmethoxyphenyl) acetate?
(3-methyl-4-phenylmethoxyphenyl) acetate has a molecular weight of 256.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 129245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).