(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol

C12H10BrFOS — CID 79747205

IUPAC(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFOS/c1-7-4-5-16-12(7)11(15)8-2-3-10(14)9(13)6-8/h2-6,11,15H,1H3
InChIKeyZTSPBFSLCFXBCI-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.04
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol

(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 79747205) has the molecular formula C12H10BrFOS and a molecular weight of 301.18 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID79747205
Molecular FormulaC12H10BrFOS
Molecular Weight301.18 g/mol
Exact Mass299.96
IUPAC Name(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H10BrFOS/c1-7-4-5-16-12(7)11(15)8-2-3-10(14)9(13)6-8/h2-6,11,15H,1H3
InChIKeyZTSPBFSLCFXBCI-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 54978962
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3-methylthiophen-2-yl)-quinoxalin-6-ylmethanol
CID 78917699
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol (CID 79747205) is (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is ZTSPBFSLCFXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFOS/c1-7-4-5-16-12(7)11(15)8-2-3-10(14)9(13)6-8/h2-6,11,15H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol?
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 301.18 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79747205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).