(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid

C15H16O5 — CID 139210699

IUPAC(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid
SMILESCC(C)(C(/C=C\C(=O)O)=C/C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H16O5/c1-15(2,10-3-6-12(16)7-4-10)11(9-14(19)20)5-8-13(17)18/h3-9,16H,1-2H3,(H,17,18)(H,19,20)/b8-5-,11-9+
InChIKeyLBVHEPFKFMQALR-TWGJSUAUSA-N
MW276.29 g/mol
LogP2.32
Rot. Bonds5

About (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid

(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid (PubChem CID 139210699) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid.

Molecular Properties

Compound Name(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid
PubChem CID139210699
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid
SMILESCC(C)(C(/C=C\C(=O)O)=C/C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H16O5/c1-15(2,10-3-6-12(16)7-4-10)11(9-14(19)20)5-8-13(17)18/h3-9,16H,1-2H3,(H,17,18)(H,19,20)/b8-5-,11-9+
InChIKeyLBVHEPFKFMQALR-TWGJSUAUSA-N
XLogP2.32
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-formyl-4-(4-hydroxyphenyl)-4-methylpent-2-enoic acid
CID 162787609
(2E,4Z)-3-tert-butylhexa-2,4-dienedioic acid
CID 25188581
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
bis(3-anilinobut-2-enoic acid);4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 161471976
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
(E,5S)-5-hydroxy-5-(4-hydroxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 23807583
2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
2-(4-hydroxyphenyl)-2,3-dimethylbutanoyl chloride
CID 117048075
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid?
The IUPAC name of (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid (CID 139210699) is (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid.
What is the SMILES notation for (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid?
The canonical SMILES for (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid is CC(C)(C(/C=C\C(=O)O)=C/C(=O)O)c1ccc(O)cc1.
What is the InChIKey of (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid?
The InChIKey is LBVHEPFKFMQALR-TWGJSUAUSA-N. The full InChI is InChI=1S/C15H16O5/c1-15(2,10-3-6-12(16)7-4-10)11(9-14(19)20)5-8-13(17)18/h3-9,16H,1-2H3,(H,17,18)(H,19,20)/b8-5-,11-9+.
What are the key properties of (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid?
(2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid has a molecular weight of 276.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-[2-(4-hydroxyphenyl)propan-2-yl]hexa-2,4-dienedioic acid is sourced from PubChem (CID 139210699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).