(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol

C20H24O — CID 14636851

IUPAC(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol
SMILESCc1cc(C)c(/C=C(\O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H24O/c1-12-7-14(3)18(15(4)8-12)11-19(21)20-16(5)9-13(2)10-17(20)6/h7-11,21H,1-6H3/b19-11-
InChIKeyNPGYJHMKVMWUSU-ODLFYWEKSA-N
MW280.41 g/mol
LogP5.59
Rot. Bonds2

About (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol

(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol (PubChem CID 14636851) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol.

Molecular Properties

Compound Name(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol
PubChem CID14636851
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol
SMILESCc1cc(C)c(/C=C(\O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H24O/c1-12-7-14(3)18(15(4)8-12)11-19(21)20-16(5)9-13(2)10-17(20)6/h7-11,21H,1-6H3/b19-11-
InChIKeyNPGYJHMKVMWUSU-ODLFYWEKSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol?
The IUPAC name of (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol (CID 14636851) is (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol.
What is the SMILES notation for (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol?
The canonical SMILES for (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol is Cc1cc(C)c(/C=C(\O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol?
The InChIKey is NPGYJHMKVMWUSU-ODLFYWEKSA-N. The full InChI is InChI=1S/C20H24O/c1-12-7-14(3)18(15(4)8-12)11-19(21)20-16(5)9-13(2)10-17(20)6/h7-11,21H,1-6H3/b19-11-.
What are the key properties of (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol?
(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol has a molecular weight of 280.41 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol is sourced from PubChem (CID 14636851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).