(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol

C14H14Br2OS — CID 80535503

IUPAC(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)c(Br)s2)c(C)c1
InChIInChI=1S/C14H14Br2OS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13,17H,1-3H3
InChIKeyBYRTWZPOSBOKOX-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.28
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol

(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 80535503) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
PubChem CID80535503
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(Br)c(Br)s2)c(C)c1
InChIInChI=1S/C14H14Br2OS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13,17H,1-3H3
InChIKeyBYRTWZPOSBOKOX-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
2-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430671
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(4,5-dibromothiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 80535252
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285
(4,5-dibromothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 115836012
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol (CID 80535503) is (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(Br)c(Br)s2)c(C)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is BYRTWZPOSBOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-7-4-8(2)12(9(3)5-7)13(17)11-6-10(15)14(16)18-11/h4-6,13,17H,1-3H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol?
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 390.14 g/mol, XLogP of 5.28, 2 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)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 80535503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).