(2S)-2-phenylhex-5-enoic acid

C12H14O2 — CID 92982258

IUPAC(2S)-2-phenylhex-5-enoic acid
SMILESC=CCC[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2,(H,13,14)/t11-/m0/s1
InChIKeyLXIOHNZHJXHBTO-NSHDSACASA-N
MW190.24 g/mol
LogP2.82
Rot. Bonds5

About (2S)-2-phenylhex-5-enoic acid

(2S)-2-phenylhex-5-enoic acid (PubChem CID 92982258) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-phenylhex-5-enoic acid.

Molecular Properties

Compound Name(2S)-2-phenylhex-5-enoic acid
PubChem CID92982258
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-phenylhex-5-enoic acid
SMILESC=CCC[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2,(H,13,14)/t11-/m0/s1
InChIKeyLXIOHNZHJXHBTO-NSHDSACASA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 94888525
benzene;2-but-3-enylpropanedioic acid
CID 174917168
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
5-hydroxy-2-phenylpentanoic acid
CID 79006638
sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
2-chloro-1-phenylhex-5-en-1-one
CID 23321167
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
7-methyl-2-phenyloctanoic acid
CID 83162771
6-iodo-2-phenylhexanoic acid
CID 134916404
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
2-phenylbutanedioic acid
CID 161009404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylhex-5-enoic acid?
The IUPAC name of (2S)-2-phenylhex-5-enoic acid (CID 92982258) is (2S)-2-phenylhex-5-enoic acid.
What is the SMILES notation for (2S)-2-phenylhex-5-enoic acid?
The canonical SMILES for (2S)-2-phenylhex-5-enoic acid is C=CCC[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-phenylhex-5-enoic acid?
The InChIKey is LXIOHNZHJXHBTO-NSHDSACASA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-2-phenylhex-5-enoic acid?
(2S)-2-phenylhex-5-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylhex-5-enoic acid is sourced from PubChem (CID 92982258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).