3-(4-hydroxyphenyl)hex-4-enoic acid

C12H14O3 — CID 68735439

IUPAC3-(4-hydroxyphenyl)hex-4-enoic acid
SMILESCC=CC(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h2-7,10,13H,8H2,1H3,(H,14,15)
InChIKeyVHTGIDCENUYTRR-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.53
Rot. Bonds4

About 3-(4-hydroxyphenyl)hex-4-enoic acid

3-(4-hydroxyphenyl)hex-4-enoic acid (PubChem CID 68735439) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)hex-4-enoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)hex-4-enoic acid
PubChem CID68735439
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(4-hydroxyphenyl)hex-4-enoic acid
SMILESCC=CC(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H14O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h2-7,10,13H,8H2,1H3,(H,14,15)
InChIKeyVHTGIDCENUYTRR-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
CID 67430735
3-[4-[[4-(hydroxymethyl)phenyl]methyl]phenyl]hex-4-enoic acid
CID 175043499
(E,3S)-3-(2,5-dimethylphenyl)hex-4-enoic acid
CID 157245480
methyl 3-(4-phenylmethoxyphenyl)hex-4-enoate
CID 68734059
methyl (Z,3R)-3-(4-phenylmethoxyphenyl)hex-4-enoate
CID 118619340
(3S)-3-(4-hydroxyphenyl)hex-4-ynoic acid
CID 59855121
(3S)-3-[4-[[4-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methoxy]phenyl]hex-4-enoic acid
CID 141479667
(3S)-3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]hex-4-enoic acid
CID 151356301
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
(3S)-3-[4-[[7-methyl-1-(2-methylpropyl)indazol-6-yl]methoxy]phenyl]hex-4-enoic acid
CID 150674301
4-[(1S)-1-aminoethyl]phenol;(2R)-2-hydroxybutanedioic acid
CID 127256278

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)hex-4-enoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)hex-4-enoic acid (CID 68735439) is 3-(4-hydroxyphenyl)hex-4-enoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)hex-4-enoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)hex-4-enoic acid is CC=CC(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)hex-4-enoic acid?
The InChIKey is VHTGIDCENUYTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-3-10(8-12(14)15)9-4-6-11(13)7-5-9/h2-7,10,13H,8H2,1H3,(H,14,15).
What are the key properties of 3-(4-hydroxyphenyl)hex-4-enoic acid?
3-(4-hydroxyphenyl)hex-4-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)hex-4-enoic acid is sourced from PubChem (CID 68735439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).