[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate

C18H18O3 — CID 13066658

IUPAC[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
SMILESC=CCc1cccc(Oc2ccccc2C)c1OC(C)=O
InChIInChI=1S/C18H18O3/c1-4-8-15-10-7-12-17(18(15)20-14(3)19)21-16-11-6-5-9-13(16)2/h4-7,9-12H,1,8H2,2-3H3
InChIKeyQGVRNQCFJWLYBF-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.44
Rot. Bonds5

About [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate

[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate (PubChem CID 13066658) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate.

Molecular Properties

Compound Name[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
PubChem CID13066658
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
SMILESC=CCc1cccc(Oc2ccccc2C)c1OC(C)=O
InChIInChI=1S/C18H18O3/c1-4-8-15-10-7-12-17(18(15)20-14(3)19)21-16-11-6-5-9-13(16)2/h4-7,9-12H,1,8H2,2-3H3
InChIKeyQGVRNQCFJWLYBF-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
[2-(dimethylcarbamoyloxy)-3-prop-2-enylphenyl] N,N-dimethylcarbamate
CID 24836202
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
CID 101178102
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
CID 90259997
CID 90259997
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate?
The IUPAC name of [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate (CID 13066658) is [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate.
What is the SMILES notation for [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate?
The canonical SMILES for [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate is C=CCc1cccc(Oc2ccccc2C)c1OC(C)=O.
What is the InChIKey of [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate?
The InChIKey is QGVRNQCFJWLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-4-8-15-10-7-12-17(18(15)20-14(3)19)21-16-11-6-5-9-13(16)2/h4-7,9-12H,1,8H2,2-3H3.
What are the key properties of [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate?
[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate has a molecular weight of 282.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate is sourced from PubChem (CID 13066658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).