(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol

C17H12Br2OS — CID 107964114

IUPAC(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C17H12Br2OS/c18-15-10-14(17(19)21-15)16(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,16,20H
InChIKeySMAIDTCIRONVGI-UHFFFAOYSA-N
MW424.16 g/mol
LogP6.02
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol

(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol (PubChem CID 107964114) has the molecular formula C17H12Br2OS and a molecular weight of 424.16 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
PubChem CID107964114
Molecular FormulaC17H12Br2OS
Molecular Weight424.16 g/mol
Exact Mass421.90
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)c1cc(Br)sc1Br
InChIInChI=1S/C17H12Br2OS/c18-15-10-14(17(19)21-15)16(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,16,20H
InChIKeySMAIDTCIRONVGI-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.16
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol
CID 61082622
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
CID 65453801
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
CID 55198667
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 114269187
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol (CID 107964114) is (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol is OC(c1ccc(-c2ccccc2)cc1)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol?
The InChIKey is SMAIDTCIRONVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2OS/c18-15-10-14(17(19)21-15)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 (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol has a molecular weight of 424.16 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 107964114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).