(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol

C17H16BrClO — CID 134864171

IUPAC(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C(/c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrClO/c1-17(2,20)11-15(12-6-5-7-13(19)10-12)14-8-3-4-9-16(14)18/h3-11,20H,1-2H3/b15-11-
InChIKeyRXHIXSTXGPDARU-PTNGSMBKSA-N
MW351.67 g/mol
LogP5.31
Rot. Bonds3

About (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol

(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol (PubChem CID 134864171) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol
PubChem CID134864171
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol
SMILESCC(C)(O)/C=C(/c1cccc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrClO/c1-17(2,20)11-15(12-6-5-7-13(19)10-12)14-8-3-4-9-16(14)18/h3-11,20H,1-2H3/b15-11-
InChIKeyRXHIXSTXGPDARU-PTNGSMBKSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol (CID 134864171) is (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol is CC(C)(O)/C=C(/c1cccc(Cl)c1)c1ccccc1Br.
What is the InChIKey of (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The InChIKey is RXHIXSTXGPDARU-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-17(2,20)11-15(12-6-5-7-13(19)10-12)14-8-3-4-9-16(14)18/h3-11,20H,1-2H3/b15-11-.
What are the key properties of (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
(Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol has a molecular weight of 351.67 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-bromophenyl)-4-(3-chlorophenyl)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 134864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).