(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C16H19BrOS — CID 107964313

IUPAC(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H19BrOS/c1-4-16(2,3)13-7-5-11(6-8-13)15(18)12-9-14(17)19-10-12/h5-10,15,18H,4H2,1-3H3
InChIKeyDGHRAYASYMTMQW-UHFFFAOYSA-N
MW339.30 g/mol
LogP5.28
Rot. Bonds4

About (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 107964313) has the molecular formula C16H19BrOS and a molecular weight of 339.30 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID107964313
Molecular FormulaC16H19BrOS
Molecular Weight339.30 g/mol
Exact Mass338.03
IUPAC Name(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H19BrOS/c1-4-16(2,3)13-7-5-11(6-8-13)15(18)12-9-14(17)19-10-12/h5-10,15,18H,4H2,1-3H3
InChIKeyDGHRAYASYMTMQW-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.30
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol with MolForge

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 103404428
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260156
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257836
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214
(5-bromothiophen-3-yl)-(furan-3-yl)methanol
CID 105097126
2-bromo-4-[(4-tert-butylphenyl)-chloromethyl]thiophene
CID 107964491
1,3-dibromo-5-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 107980960
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107961111

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 107964313) is (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2csc(Br)c2)cc1.
What is the InChIKey of (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is DGHRAYASYMTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrOS/c1-4-16(2,3)13-7-5-11(6-8-13)15(18)12-9-14(17)19-10-12/h5-10,15,18H,4H2,1-3H3.
What are the key properties of (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 339.30 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 107964313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).