(4-hydroxy-3-propylphenyl) acetate

C11H14O3 — CID 151790700

IUPAC(4-hydroxy-3-propylphenyl) acetate
SMILESCCCc1cc(OC(C)=O)ccc1O
InChIInChI=1S/C11H14O3/c1-3-4-9-7-10(14-8(2)12)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyRWOCUQQHBMHRAC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.27
Rot. Bonds3

About (4-hydroxy-3-propylphenyl) acetate

(4-hydroxy-3-propylphenyl) acetate (PubChem CID 151790700) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4-hydroxy-3-propylphenyl) acetate.

Molecular Properties

Compound Name(4-hydroxy-3-propylphenyl) acetate
PubChem CID151790700
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4-hydroxy-3-propylphenyl) acetate
SMILESCCCc1cc(OC(C)=O)ccc1O
InChIInChI=1S/C11H14O3/c1-3-4-9-7-10(14-8(2)12)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3
InChIKeyRWOCUQQHBMHRAC-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.27
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

[4-(4-acetyloxy-2-propylphenyl)-3-propylphenyl] acetate
CID 102006253
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
methyl 4-(4-hydroxy-3-propylphenoxy)benzoate
CID 54381227
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(3-propylphenyl) acetate
CID 44589271
2-propyl-4-(2,2,2-trifluoroethoxy)phenol
CID 22737353
(3-ethyl-4-hydroxyphenyl) prop-2-enoate
CID 174614583
[3-[[acetyl(benzyl)amino]methyl]-4-hydroxyphenyl] acetate
CID 165350406
(4-acetyloxy-3-heptylphenyl) acetate
CID 15642754
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
CID 174480631

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-propylphenyl) acetate?
The IUPAC name of (4-hydroxy-3-propylphenyl) acetate (CID 151790700) is (4-hydroxy-3-propylphenyl) acetate.
What is the SMILES notation for (4-hydroxy-3-propylphenyl) acetate?
The canonical SMILES for (4-hydroxy-3-propylphenyl) acetate is CCCc1cc(OC(C)=O)ccc1O.
What is the InChIKey of (4-hydroxy-3-propylphenyl) acetate?
The InChIKey is RWOCUQQHBMHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-9-7-10(14-8(2)12)5-6-11(9)13/h5-7,13H,3-4H2,1-2H3.
What are the key properties of (4-hydroxy-3-propylphenyl) acetate?
(4-hydroxy-3-propylphenyl) acetate has a molecular weight of 194.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-propylphenyl) acetate is sourced from PubChem (CID 151790700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).