(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid

C12H10O3 — CID 23440006

IUPAC(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid
SMILESC/C(=C/C#CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H10O3/c1-9(4-2-7-12(14)15)10-5-3-6-11(13)8-10/h3-6,8,13H,1H3,(H,14,15)/b9-4-
InChIKeyFBLYMJMXPZHIAD-WTKPLQERSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds1

About (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid

(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid (PubChem CID 23440006) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid.

Molecular Properties

Compound Name(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid
PubChem CID23440006
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid
SMILESC/C(=C/C#CC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H10O3/c1-9(4-2-7-12(14)15)10-5-3-6-11(13)8-10/h3-6,8,13H,1H3,(H,14,15)/b9-4-
InChIKeyFBLYMJMXPZHIAD-WTKPLQERSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid?
The IUPAC name of (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid (CID 23440006) is (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid.
What is the SMILES notation for (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid?
The canonical SMILES for (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid is C/C(=C/C#CC(=O)O)c1cccc(O)c1.
What is the InChIKey of (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid?
The InChIKey is FBLYMJMXPZHIAD-WTKPLQERSA-N. The full InChI is InChI=1S/C12H10O3/c1-9(4-2-7-12(14)15)10-5-3-6-11(13)8-10/h3-6,8,13H,1H3,(H,14,15)/b9-4-.
What are the key properties of (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid?
(Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3-hydroxyphenyl)hex-4-en-2-ynoic acid is sourced from PubChem (CID 23440006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).