(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol

C24H24O — CID 53231042

IUPAC(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol
SMILESCC(/C=C/c1ccccc1)(Cc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H24O/c1-24(19-21-13-7-3-8-14-21,18-17-20-11-5-2-6-12-20)23(25)22-15-9-4-10-16-22/h2-18,23,25H,19H2,1H3/b18-17+
InChIKeyANHMNCZTYNYUJX-ISLYRVAYSA-N
MW328.46 g/mol
LogP5.68
Rot. Bonds6

About (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol

(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol (PubChem CID 53231042) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol
PubChem CID53231042
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol
SMILESCC(/C=C/c1ccccc1)(Cc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C24H24O/c1-24(19-21-13-7-3-8-14-21,18-17-20-11-5-2-6-12-20)23(25)22-15-9-4-10-16-22/h2-18,23,25H,19H2,1H3/b18-17+
InChIKeyANHMNCZTYNYUJX-ISLYRVAYSA-N
XLogP5.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol?
The IUPAC name of (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol (CID 53231042) is (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol.
What is the SMILES notation for (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol?
The canonical SMILES for (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol is CC(/C=C/c1ccccc1)(Cc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol?
The InChIKey is ANHMNCZTYNYUJX-ISLYRVAYSA-N. The full InChI is InChI=1S/C24H24O/c1-24(19-21-13-7-3-8-14-21,18-17-20-11-5-2-6-12-20)23(25)22-15-9-4-10-16-22/h2-18,23,25H,19H2,1H3/b18-17+.
What are the key properties of (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol?
(E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol has a molecular weight of 328.46 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyl-2-methyl-1,4-diphenylbut-3-en-1-ol is sourced from PubChem (CID 53231042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).