(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol

C15H15ClF2OS — CID 82771349

IUPAC(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc(F)c(Cl)cc2F)s1
InChIInChI=1S/C15H15ClF2OS/c1-15(2,3)13-5-4-12(20-13)14(19)8-6-11(18)9(16)7-10(8)17/h4-7,14,19H,1-3H3
InChIKeyFNEDMJPYNPEICC-UHFFFAOYSA-N
MW316.80 g/mol
LogP5.06
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol

(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol (PubChem CID 82771349) has the molecular formula C15H15ClF2OS and a molecular weight of 316.80 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
PubChem CID82771349
Molecular FormulaC15H15ClF2OS
Molecular Weight316.80 g/mol
Exact Mass316.05
IUPAC Name(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc(F)c(Cl)cc2F)s1
InChIInChI=1S/C15H15ClF2OS/c1-15(2,3)13-5-4-12(20-13)14(19)8-6-11(18)9(16)7-10(8)17/h4-7,14,19H,1-3H3
InChIKeyFNEDMJPYNPEICC-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.80
LogP ≤ 55.06
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

(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107955729
(3-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107991317
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(5-tert-butylthiophen-2-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724447
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 105399338
1-(5-tert-butylthiophen-2-yl)ethanol
CID 58902618
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
1-(5-tert-butylthiophen-2-yl)but-2-yn-1-ol
CID 130515715
1-(5-tert-butylthiophen-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983428
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
CID 61101728
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol (CID 82771349) is (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol is CC(C)(C)c1ccc(C(O)c2cc(F)c(Cl)cc2F)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol?
The InChIKey is FNEDMJPYNPEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2OS/c1-15(2,3)13-5-4-12(20-13)14(19)8-6-11(18)9(16)7-10(8)17/h4-7,14,19H,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol?
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol has a molecular weight of 316.80 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol is sourced from PubChem (CID 82771349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).