(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol

C12H9BrClFOS — CID 105399338

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)c(Br)cc2F)s1
InChIInChI=1S/C12H9BrClFOS/c1-6-2-3-11(17-6)12(16)7-4-9(14)8(13)5-10(7)15/h2-5,12,16H,1H3
InChIKeyZMDCGAFIVPDDKG-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.69
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 105399338) has the molecular formula C12H9BrClFOS and a molecular weight of 335.63 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
PubChem CID105399338
Molecular FormulaC12H9BrClFOS
Molecular Weight335.63 g/mol
Exact Mass333.92
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2cc(Cl)c(Br)cc2F)s1
InChIInChI=1S/C12H9BrClFOS/c1-6-2-3-11(17-6)12(16)7-4-9(14)8(13)5-10(7)15/h2-5,12,16H,1H3
InChIKeyZMDCGAFIVPDDKG-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
CID 82771349
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol (CID 105399338) is (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2cc(Cl)c(Br)cc2F)s1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is ZMDCGAFIVPDDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFOS/c1-6-2-3-11(17-6)12(16)7-4-9(14)8(13)5-10(7)15/h2-5,12,16H,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 335.63 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105399338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).