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

C12H14O3 — CID 67430735

IUPAC(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
SMILESCC=C[C@@H](CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-2-4-9(8-12(14)15)10-5-3-6-11(13)7-10/h2-7,9,13H,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBMGCGKMIKWTRHW-VIFPVBQESA-N
MW206.24 g/mol
LogP2.53
Rot. Bonds4

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

(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid (PubChem CID 67430735) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid.

Molecular Properties

Compound Name(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
PubChem CID67430735
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
SMILESCC=C[C@@H](CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-2-4-9(8-12(14)15)10-5-3-6-11(13)7-10/h2-7,9,13H,8H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyBMGCGKMIKWTRHW-VIFPVBQESA-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

3-(4-hydroxyphenyl)hex-4-enoic acid
CID 68735439
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid
CID 68730532
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
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
(2S)-2-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]butanedioic acid
CID 71428843
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
(E)-3-(1-phenylethylamino)hex-4-enoic acid
CID 70277932

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid?
The IUPAC name of (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid (CID 67430735) is (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid.
What is the SMILES notation for (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid?
The canonical SMILES for (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid is CC=C[C@@H](CC(=O)O)c1cccc(O)c1.
What is the InChIKey of (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid?
The InChIKey is BMGCGKMIKWTRHW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14O3/c1-2-4-9(8-12(14)15)10-5-3-6-11(13)7-10/h2-7,9,13H,8H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid?
(3R)-3-(3-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 (3R)-3-(3-hydroxyphenyl)hex-4-enoic acid is sourced from PubChem (CID 67430735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).