(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol

C13H12F2O2S — CID 81123580

IUPAC(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C13H12F2O2S/c1-7-3-9(11(15)5-10(7)14)13(16)12-4-8(17-2)6-18-12/h3-6,13,16H,1-2H3
InChIKeyNXXBQURJQRXAMW-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.43
Rot. Bonds3

About (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol

(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 81123580) has the molecular formula C13H12F2O2S and a molecular weight of 270.30 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
PubChem CID81123580
Molecular FormulaC13H12F2O2S
Molecular Weight270.30 g/mol
Exact Mass270.05
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C13H12F2O2S/c1-7-3-9(11(15)5-10(7)14)13(16)12-4-8(17-2)6-18-12/h3-6,13,16H,1-2H3
InChIKeyNXXBQURJQRXAMW-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol (CID 81123580) is (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2cc(C)c(F)cc2F)c1.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is NXXBQURJQRXAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2S/c1-7-3-9(11(15)5-10(7)14)13(16)12-4-8(17-2)6-18-12/h3-6,13,16H,1-2H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol?
(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 270.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 81123580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).