(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol

C11H7BrCl2OS — CID 61082620

IUPAC(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cccc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-7-3-1-2-6(4-7)10(15)8-5-9(13)16-11(8)14/h1-5,10,15H
InChIKeyBMCXDXWVFYVQIN-UHFFFAOYSA-N
MW338.05 g/mol
LogP4.90
Rot. Bonds2

About (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol

(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 61082620) has the molecular formula C11H7BrCl2OS and a molecular weight of 338.05 g/mol. Its IUPAC name is (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID61082620
Molecular FormulaC11H7BrCl2OS
Molecular Weight338.05 g/mol
Exact Mass335.88
IUPAC Name(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cccc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7BrCl2OS/c12-7-3-1-2-6(4-7)10(15)8-5-9(13)16-11(8)14/h1-5,10,15H
InChIKeyBMCXDXWVFYVQIN-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.05
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
CID 97293534
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
CID 61081034
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,5-dichlorothiophene
CID 55199742

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 61082620) is (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol is OC(c1cccc(Br)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is BMCXDXWVFYVQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2OS/c12-7-3-1-2-6(4-7)10(15)8-5-9(13)16-11(8)14/h1-5,10,15H.
What are the key properties of (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 338.05 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 61082620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).