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

C20H24O — CID 159845786

IUPAC1,2-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
InChIKeyNPGYJHMKVMWUSU-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.59
Rot. Bonds2

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

1,2-bis(2,4,6-trimethylphenyl)ethenol (PubChem CID 159845786) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1,2-bis(2,4,6-trimethylphenyl)ethenol.

Molecular Properties

Compound Name1,2-bis(2,4,6-trimethylphenyl)ethenol
PubChem CID159845786
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1,2-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
InChIKeyNPGYJHMKVMWUSU-UHFFFAOYSA-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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Related Compounds

(Z)-1,2-bis(2,4,6-trimethylphenyl)ethenol
CID 14636851
(E)-2-fluoro-3-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 131609027
2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
CID 79334687
(E)-2-methyl-3-(2,4,6-trimethylphenyl)prop-2-enoate
CID 23064646
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
2-[2-(bromomethyl)but-1-enyl]-1,3,5-trimethylbenzene
CID 79323296
2-[2-(chloromethyl)but-1-enyl]-1,3,5-trimethylbenzene
CID 79335494
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
(E)-3-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 82048650
1,1-bis(2,4,6-trimethylphenyl)but-1-en-2-ol
CID 86120683
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)ethenol?
The IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)ethenol (CID 159845786) is 1,2-bis(2,4,6-trimethylphenyl)ethenol.
What is the SMILES notation for 1,2-bis(2,4,6-trimethylphenyl)ethenol?
The canonical SMILES for 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 1,2-bis(2,4,6-trimethylphenyl)ethenol?
The InChIKey is NPGYJHMKVMWUSU-UHFFFAOYSA-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.
What are the key properties of 1,2-bis(2,4,6-trimethylphenyl)ethenol?
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 1,2-bis(2,4,6-trimethylphenyl)ethenol is sourced from PubChem (CID 159845786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).