2-hydroxy-3-phenylpenta-2,4-dienoic acid

C11H10O3 — CID 163782499

IUPAC2-hydroxy-3-phenylpenta-2,4-dienoic acid
SMILESC=CC(=C(O)C(=O)O)c1ccccc1
InChIInChI=1S/C11H10O3/c1-2-9(10(12)11(13)14)8-6-4-3-5-7-8/h2-7,12H,1H2,(H,13,14)
InChIKeyMPTMUXILJGTEDN-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.23
Rot. Bonds3

About 2-hydroxy-3-phenylpenta-2,4-dienoic acid

2-hydroxy-3-phenylpenta-2,4-dienoic acid (PubChem CID 163782499) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-hydroxy-3-phenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenylpenta-2,4-dienoic acid
PubChem CID163782499
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-hydroxy-3-phenylpenta-2,4-dienoic acid
SMILESC=CC(=C(O)C(=O)O)c1ccccc1
InChIInChI=1S/C11H10O3/c1-2-9(10(12)11(13)14)8-6-4-3-5-7-8/h2-7,12H,1H2,(H,13,14)
InChIKeyMPTMUXILJGTEDN-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 138972060
2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
1,2-diphenylbuta-1,3-dienylphosphonic acid
CID 175137744
2,3-dihydroxy-3-phenylprop-2-enoic acid
CID 66595634
4-(4-phenylhexa-1,3,5-trien-3-yl)benzenesulfonic acid
CID 141082862
3-bromo-2-phenylpenta-2,4-dienoic acid
CID 154309812
1-phenylethanone;prop-2-enoic acid
CID 67861534
methanamine;1-phenylprop-2-en-1-one
CID 91395058
chloroethene;diphenylmethanone
CID 159955636
benzoic acid;formic acid;prop-2-enoic acid
CID 141485306

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylpenta-2,4-dienoic acid?
The IUPAC name of 2-hydroxy-3-phenylpenta-2,4-dienoic acid (CID 163782499) is 2-hydroxy-3-phenylpenta-2,4-dienoic acid.
What is the SMILES notation for 2-hydroxy-3-phenylpenta-2,4-dienoic acid?
The canonical SMILES for 2-hydroxy-3-phenylpenta-2,4-dienoic acid is C=CC(=C(O)C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenylpenta-2,4-dienoic acid?
The InChIKey is MPTMUXILJGTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-9(10(12)11(13)14)8-6-4-3-5-7-8/h2-7,12H,1H2,(H,13,14).
What are the key properties of 2-hydroxy-3-phenylpenta-2,4-dienoic acid?
2-hydroxy-3-phenylpenta-2,4-dienoic acid has a molecular weight of 190.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylpenta-2,4-dienoic acid is sourced from PubChem (CID 163782499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).