[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate

C12H14O3 — CID 10774656

IUPAC[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate
SMILESCC(=O)Oc1c(C)cccc1/C=C\CO
InChIInChI=1S/C12H14O3/c1-9-5-3-6-11(7-4-8-13)12(9)15-10(2)14/h3-7,13H,8H2,1-2H3/b7-4-
InChIKeyCPLSVFHIGXBLSY-DAXSKMNVSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds3

About [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate

[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate (PubChem CID 10774656) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate.

Molecular Properties

Compound Name[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate
PubChem CID10774656
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate
SMILESCC(=O)Oc1c(C)cccc1/C=C\CO
InChIInChI=1S/C12H14O3/c1-9-5-3-6-11(7-4-8-13)12(9)15-10(2)14/h3-7,13H,8H2,1-2H3/b7-4-
InChIKeyCPLSVFHIGXBLSY-DAXSKMNVSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.93
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-[(E)-3-bromoprop-1-enyl]-6-methylphenyl] acetate
CID 11959808
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(2-methyl-6-sulfanylphenyl) acetate
CID 174649835
(2-cyano-6-methylphenyl) acetate
CID 91679427
(2,6-dihydroxyphenyl) acetate
CID 19910305
2-[2-ethoxy-6-(3-hydroxyprop-1-enyl)phenoxy]acetic acid
CID 169454343
(2-propanoyl-6-prop-1-enylphenyl) acetate
CID 70447044
2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
CID 169453821
3-[(2-methoxy-3-methylphenyl)methylidene]pentane-2,4-dione
CID 102508983
(2-ethyl-6-formylphenyl) acetate
CID 156902957
[5-[3-[2-(dimethylcarbamoyl)-3-methylphenyl]prop-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl] acetate
CID 54493502
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate?
The IUPAC name of [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate (CID 10774656) is [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate.
What is the SMILES notation for [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate?
The canonical SMILES for [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate is CC(=O)Oc1c(C)cccc1/C=C\CO.
What is the InChIKey of [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate?
The InChIKey is CPLSVFHIGXBLSY-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-5-3-6-11(7-4-8-13)12(9)15-10(2)14/h3-7,13H,8H2,1-2H3/b7-4-.
What are the key properties of [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate?
[2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate has a molecular weight of 206.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-hydroxyprop-1-enyl]-6-methylphenyl] acetate is sourced from PubChem (CID 10774656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).