(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid

C19H18O6 — CID 170458678

IUPAC(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid
SMILESCOc1cc(/C=C/C(=O)CC(O)(C(=O)O)c2ccccc2)ccc1O
InChIInChI=1S/C19H18O6/c1-25-17-11-13(8-10-16(17)21)7-9-15(20)12-19(24,18(22)23)14-5-3-2-4-6-14/h2-11,21,24H,12H2,1H3,(H,22,23)/b9-7+
InChIKeyYUUXTHBJDVRAEP-VQHVLOKHSA-N
MW342.35 g/mol
LogP2.35
Rot. Bonds7

About (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid

(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid (PubChem CID 170458678) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid.

Molecular Properties

Compound Name(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid
PubChem CID170458678
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid
SMILESCOc1cc(/C=C/C(=O)CC(O)(C(=O)O)c2ccccc2)ccc1O
InChIInChI=1S/C19H18O6/c1-25-17-11-13(8-10-16(17)21)7-9-15(20)12-19(24,18(22)23)14-5-3-2-4-6-14/h2-11,21,24H,12H2,1H3,(H,22,23)/b9-7+
InChIKeyYUUXTHBJDVRAEP-VQHVLOKHSA-N
XLogP2.35
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 54335344
(E)-1-(4-hydroxy-3-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 11550934
(E)-4-(4-hydroxy-3-methoxyphenyl)-1-phenylsulfanylbut-3-en-2-one
CID 14407222
CID 174827534
CID 174827534
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 172725017
1-(4-hydroxy-3-methoxyphenyl)-7-pyridin-2-ylhepta-1,6-diene-3,5-dione
CID 68555102
acetyl 2-hydroxybenzoate;1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 173061897

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid?
The IUPAC name of (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid (CID 170458678) is (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid.
What is the SMILES notation for (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid?
The canonical SMILES for (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid is COc1cc(/C=C/C(=O)CC(O)(C(=O)O)c2ccccc2)ccc1O.
What is the InChIKey of (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid?
The InChIKey is YUUXTHBJDVRAEP-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18O6/c1-25-17-11-13(8-10-16(17)21)7-9-15(20)12-19(24,18(22)23)14-5-3-2-4-6-14/h2-11,21,24H,12H2,1H3,(H,22,23)/b9-7+.
What are the key properties of (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid?
(E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid has a molecular weight of 342.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-phenylhex-5-enoic acid is sourced from PubChem (CID 170458678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).