(3-methyl-4-prop-1-en-2-ylphenyl) acetate

C12H14O2 — CID 21189087

IUPAC(3-methyl-4-prop-1-en-2-ylphenyl) acetate
SMILESC=C(C)c1ccc(OC(C)=O)cc1C
InChIInChI=1S/C12H14O2/c1-8(2)12-6-5-11(7-9(12)3)14-10(4)13/h5-7H,1H2,2-4H3
InChIKeyIODFZSZAIFXHTR-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.95
Rot. Bonds2

About (3-methyl-4-prop-1-en-2-ylphenyl) acetate

(3-methyl-4-prop-1-en-2-ylphenyl) acetate (PubChem CID 21189087) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-methyl-4-prop-1-en-2-ylphenyl) acetate.

Molecular Properties

Compound Name(3-methyl-4-prop-1-en-2-ylphenyl) acetate
PubChem CID21189087
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3-methyl-4-prop-1-en-2-ylphenyl) acetate
SMILESC=C(C)c1ccc(OC(C)=O)cc1C
InChIInChI=1S/C12H14O2/c1-8(2)12-6-5-11(7-9(12)3)14-10(4)13/h5-7H,1H2,2-4H3
InChIKeyIODFZSZAIFXHTR-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4-prop-1-en-2-ylphenyl) acetate;2-phenylacetic acid
CID 21189086
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
trimethyl-(3-methyl-4-prop-1-en-2-ylphenoxy)silane
CID 19882747
4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
CID 134396698
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(3-amino-4-methylphenyl) acetate
CID 66838768
[4-(3,5-dimethylbenzoyl)phenyl] acetate
CID 24723053
2-methyl-4-prop-2-enoyloxybenzoic acid
CID 151032706
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
3-methyl-4-prop-1-en-2-ylbenzaldehyde
CID 165138521
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-prop-1-en-2-ylphenyl) acetate?
The IUPAC name of (3-methyl-4-prop-1-en-2-ylphenyl) acetate (CID 21189087) is (3-methyl-4-prop-1-en-2-ylphenyl) acetate.
What is the SMILES notation for (3-methyl-4-prop-1-en-2-ylphenyl) acetate?
The canonical SMILES for (3-methyl-4-prop-1-en-2-ylphenyl) acetate is C=C(C)c1ccc(OC(C)=O)cc1C.
What is the InChIKey of (3-methyl-4-prop-1-en-2-ylphenyl) acetate?
The InChIKey is IODFZSZAIFXHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)12-6-5-11(7-9(12)3)14-10(4)13/h5-7H,1H2,2-4H3.
What are the key properties of (3-methyl-4-prop-1-en-2-ylphenyl) acetate?
(3-methyl-4-prop-1-en-2-ylphenyl) acetate has a molecular weight of 190.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-prop-1-en-2-ylphenyl) acetate is sourced from PubChem (CID 21189087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).