(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol

C17H12BrClOS — CID 102829826

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C17H12BrClOS/c18-14-10-15(21-17(14)19)16(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,16,20H
InChIKeyIXZNGGLEAZHHOX-UHFFFAOYSA-N
MW379.71 g/mol
LogP5.91
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol (PubChem CID 102829826) has the molecular formula C17H12BrClOS and a molecular weight of 379.71 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
PubChem CID102829826
Molecular FormulaC17H12BrClOS
Molecular Weight379.71 g/mol
Exact Mass377.95
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C17H12BrClOS/c18-14-10-15(21-17(14)19)16(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,16,20H
InChIKeyIXZNGGLEAZHHOX-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.71
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102835178
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(4-bromo-5-chlorothiophen-2-yl)-(4-cyclopropyloxyphenyl)methanol
CID 102830279
(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
CID 102829986
(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
CID 107964114
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol (CID 102829826) is (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol is OC(c1ccc(-c2ccccc2)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol?
The InChIKey is IXZNGGLEAZHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClOS/c18-14-10-15(21-17(14)19)16(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,16,20H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol has a molecular weight of 379.71 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 102829826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).