4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol

C20H24O2 — CID 5376500

IUPAC4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol
SMILESCCCCCCc1ccc(O)c(/C(O)=C/c2ccccc2)c1
InChIInChI=1S/C20H24O2/c1-2-3-4-6-11-17-12-13-19(21)18(14-17)20(22)15-16-9-7-5-8-10-16/h5,7-10,12-15,21-22H,2-4,6,11H2,1H3/b20-15-
InChIKeyRVRWXNAWPWCIHF-HKWRFOASSA-N
MW296.41 g/mol
LogP5.57
Rot. Bonds7

About 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol

4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol (PubChem CID 5376500) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol.

Molecular Properties

Compound Name4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol
PubChem CID5376500
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol
SMILESCCCCCCc1ccc(O)c(/C(O)=C/c2ccccc2)c1
InChIInChI=1S/C20H24O2/c1-2-3-4-6-11-17-12-13-19(21)18(14-17)20(22)15-16-9-7-5-8-10-16/h5,7-10,12-15,21-22H,2-4,6,11H2,1H3/b20-15-
InChIKeyRVRWXNAWPWCIHF-HKWRFOASSA-N
XLogP5.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
4-pentyl-2-phenylphenol
CID 154147556
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
4-nonyl-2-pentylphenol
CID 86162849

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol?
The IUPAC name of 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol (CID 5376500) is 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol.
What is the SMILES notation for 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol?
The canonical SMILES for 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol is CCCCCCc1ccc(O)c(/C(O)=C/c2ccccc2)c1.
What is the InChIKey of 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol?
The InChIKey is RVRWXNAWPWCIHF-HKWRFOASSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-3-4-6-11-17-12-13-19(21)18(14-17)20(22)15-16-9-7-5-8-10-16/h5,7-10,12-15,21-22H,2-4,6,11H2,1H3/b20-15-.
What are the key properties of 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol?
4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol is sourced from PubChem (CID 5376500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).