(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol

C15H16Br2OS — CID 80537480

IUPAC(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C15H16Br2OS/c1-9(2)7-10-3-5-11(6-4-10)14(18)13-8-12(16)15(17)19-13/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyVELCTLLHOFHMJB-UHFFFAOYSA-N
MW404.17 g/mol
LogP5.55
Rot. Bonds4

About (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol

(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 80537480) has the molecular formula C15H16Br2OS and a molecular weight of 404.17 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID80537480
Molecular FormulaC15H16Br2OS
Molecular Weight404.17 g/mol
Exact Mass401.93
IUPAC Name(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C15H16Br2OS/c1-9(2)7-10-3-5-11(6-4-10)14(18)13-8-12(16)15(17)19-13/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyVELCTLLHOFHMJB-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.17
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(2-Bromophenyl)-2-thiophenemethanol
CID 21428786
(5-Methylthiophen-2-yl)-phenylmethanol
CID 6624793
(S)-(4-methylphenyl)-thiophen-2-ylmethanol
CID 92981469
p-Tolyl a-thienyl carbinol
CID 10774571
2,5-Bis(p-tolylhydroxy-methyl) thiophene
CID 11088638
(5-Bromo-thiophen-2-yl)-(3-fluoro-phenyl)-methanol
CID 9817365
(4-Bromothiophen-2-yl)-(3-fluorophenyl)methanol
CID 21183834
1-{3-Methyl-5-[4-(trifluoromethyl)phenyl]thien-2-yl}ethanol
CID 21986359
1-[5-[4-(Trifluoromethyl)phenyl]thiophen-2-yl]ethanol
CID 21986450
(4-Bromo-2,5-dimethyl-3-thienyl)[4-(trifluoromethyl)phenyl]methanol
CID 45140400
(5-Bromo-2-thienyl)(4-fluorophenyl)methanol
CID 49962861
1-[3-Methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-ol
CID 57594985

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol (CID 80537480) is (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is VELCTLLHOFHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2OS/c1-9(2)7-10-3-5-11(6-4-10)14(18)13-8-12(16)15(17)19-13/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol?
(4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 404.17 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 80537480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).