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

C18H15BrOS — CID 79998991

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(-c3ccccc3)cc2)sc1Br
InChIInChI=1S/C18H15BrOS/c1-12-11-16(21-18(12)19)17(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,17,20H,1H3
InChIKeyCOTCACVKQCZFOO-UHFFFAOYSA-N
MW359.29 g/mol
LogP5.57
Rot. Bonds3

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

(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol (PubChem CID 79998991) has the molecular formula C18H15BrOS and a molecular weight of 359.29 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
PubChem CID79998991
Molecular FormulaC18H15BrOS
Molecular Weight359.29 g/mol
Exact Mass358.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
SMILESCc1cc(C(O)c2ccc(-c3ccccc3)cc2)sc1Br
InChIInChI=1S/C18H15BrOS/c1-12-11-16(21-18(12)19)17(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,17,20H,1H3
InChIKeyCOTCACVKQCZFOO-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(4-bromo-5-chlorothiophen-2-yl)-(4-phenylphenyl)methanol
CID 102829826
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
CID 107964114
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 79996565
(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 79999176
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol (CID 79998991) is (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol is Cc1cc(C(O)c2ccc(-c3ccccc3)cc2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol?
The InChIKey is COTCACVKQCZFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrOS/c1-12-11-16(21-18(12)19)17(20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,17,20H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol has a molecular weight of 359.29 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol is sourced from PubChem (CID 79998991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).