1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol

C18H20O2 — CID 72547002

IUPAC1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol
SMILESCC(O)c1ccc(/C=C/c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h3-14,19-20H,1-2H3/b4-3+
InChIKeyWEDJWLSGHUKIFQ-ONEGZZNKSA-N
MW268.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol

1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol (PubChem CID 72547002) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol
PubChem CID72547002
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol
SMILESCC(O)c1ccc(/C=C/c2ccc(C(C)O)cc2)cc1
InChIInChI=1S/C18H20O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h3-14,19-20H,1-2H3/b4-3+
InChIKeyWEDJWLSGHUKIFQ-ONEGZZNKSA-N
XLogP3.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol (CID 72547002) is 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol is CC(O)c1ccc(/C=C/c2ccc(C(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol?
The InChIKey is WEDJWLSGHUKIFQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h3-14,19-20H,1-2H3/b4-3+.
What are the key properties of 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol?
1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[4-(1-hydroxyethyl)phenyl]ethenyl]phenyl]ethanol is sourced from PubChem (CID 72547002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).