(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid

C12H14O3 — CID 68730532

IUPAC(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid
SMILESC=CC[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/h2-3,5-7,9,13H,1,4,8H2,(H,14,15)/t9-/m1/s1
InChIKeyOXEIQCURDSIXDE-SECBINFHSA-N
MW206.24 g/mol
LogP2.53
Rot. Bonds5

About (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid

(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid (PubChem CID 68730532) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid.

Molecular Properties

Compound Name(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid
PubChem CID68730532
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid
SMILESC=CC[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/h2-3,5-7,9,13H,1,4,8H2,(H,14,15)/t9-/m1/s1
InChIKeyOXEIQCURDSIXDE-SECBINFHSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[(1R)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171198533
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
benzyl N-[(1S)-1-(3-hydroxyphenyl)but-3-enyl]carbamate
CID 175272837
(3R)-3-(3-hydroxyphenyl)hex-4-enoic acid
CID 67430735
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
ethyl 3-phenylhex-5-enoate
CID 11481375
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
methyl 3-(4-hydroxyphenyl)hex-5-enoate
CID 72533954
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
(3S)-3-phenylpent-4-enoic acid
CID 92981953

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid?
The IUPAC name of (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid (CID 68730532) is (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid.
What is the SMILES notation for (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid?
The canonical SMILES for (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid is C=CC[C@H](CC(=O)O)c1cccc(O)c1.
What is the InChIKey of (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid?
The InChIKey is OXEIQCURDSIXDE-SECBINFHSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-4-9(8-12(14)15)10-5-3-6-11(13)7-10/h2-3,5-7,9,13H,1,4,8H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(3-hydroxyphenyl)hex-5-enoic acid?
(3R)-3-(3-hydroxyphenyl)hex-5-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.53, 5 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-5-enoic acid is sourced from PubChem (CID 68730532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).