(3R)-3-(2-methoxyphenyl)hex-5-enoic acid

C13H16O3 — CID 10822802

IUPAC(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
SMILESC=CC[C@H](CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H16O3/c1-3-6-10(9-13(14)15)11-7-4-5-8-12(11)16-2/h3-5,7-8,10H,1,6,9H2,2H3,(H,14,15)/t10-/m1/s1
InChIKeyXDDADDZOCMHNDH-SNVBAGLBSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds6

About (3R)-3-(2-methoxyphenyl)hex-5-enoic acid

(3R)-3-(2-methoxyphenyl)hex-5-enoic acid (PubChem CID 10822802) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3R)-3-(2-methoxyphenyl)hex-5-enoic acid.

Molecular Properties

Compound Name(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
PubChem CID10822802
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
SMILESC=CC[C@H](CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H16O3/c1-3-6-10(9-13(14)15)11-7-4-5-8-12(11)16-2/h3-5,7-8,10H,1,6,9H2,2H3,(H,14,15)/t10-/m1/s1
InChIKeyXDDADDZOCMHNDH-SNVBAGLBSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-methoxyphenyl)-N-methylhex-5-enamide
CID 10537602
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
3-(2-methoxyphenyl)pentanediamide
CID 20546356
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494
3-(2-methoxyphenyl)-3-triphenylgermylpropanoic acid
CID 15180324
1-(1-cyclopenta-1,4-dien-1-ylbut-3-enyl)-2-methoxybenzene
CID 102102703
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
3-[(2-methoxyphenyl)methylsulfinyl]butanoic acid
CID 66114815
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyphenyl)hex-5-enoic acid?
The IUPAC name of (3R)-3-(2-methoxyphenyl)hex-5-enoic acid (CID 10822802) is (3R)-3-(2-methoxyphenyl)hex-5-enoic acid.
What is the SMILES notation for (3R)-3-(2-methoxyphenyl)hex-5-enoic acid?
The canonical SMILES for (3R)-3-(2-methoxyphenyl)hex-5-enoic acid is C=CC[C@H](CC(=O)O)c1ccccc1OC.
What is the InChIKey of (3R)-3-(2-methoxyphenyl)hex-5-enoic acid?
The InChIKey is XDDADDZOCMHNDH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-6-10(9-13(14)15)11-7-4-5-8-12(11)16-2/h3-5,7-8,10H,1,6,9H2,2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyphenyl)hex-5-enoic acid?
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyphenyl)hex-5-enoic acid is sourced from PubChem (CID 10822802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).