(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol

C16H15ClO — CID 10729956

IUPAC(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
SMILESOC(C/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO/c17-15-11-9-14(10-12-15)16(18)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,16,18H,8H2/b7-4+
InChIKeyFRBDIDTWUAOAPP-QPJJXVBHSA-N
MW258.75 g/mol
LogP4.48
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol

(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol (PubChem CID 10729956) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
PubChem CID10729956
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
SMILESOC(C/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO/c17-15-11-9-14(10-12-15)16(18)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,16,18H,8H2/b7-4+
InChIKeyFRBDIDTWUAOAPP-QPJJXVBHSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-4-chloro-1-phenylbut-3-en-1-ol
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1-(4-chlorophenyl)-2-phenylethanol
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trihydroxy(3-phenylprop-2-enyl)phosphanium
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(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
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[4-[(Z)-1-hydroxy-4-phenylbut-3-enyl]phenyl] 4-methylbenzenesulfonate
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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol?
The IUPAC name of (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol (CID 10729956) is (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol is OC(C/C=C/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol?
The InChIKey is FRBDIDTWUAOAPP-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H15ClO/c17-15-11-9-14(10-12-15)16(18)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,16,18H,8H2/b7-4+.
What are the key properties of (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol?
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol has a molecular weight of 258.75 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 10729956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).