(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol

C14H15FOS — CID 107130699

IUPAC(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(C)s2)cc1F
InChIInChI=1S/C14H15FOS/c1-8-4-5-11(7-12(8)15)14(16)13-6-9(2)10(3)17-13/h4-7,14,16H,1-3H3
InChIKeyUMQXKTCEUCYMGK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.89
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol

(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107130699) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID107130699
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C)c(C)s2)cc1F
InChIInChI=1S/C14H15FOS/c1-8-4-5-11(7-12(8)15)14(16)13-6-9(2)10(3)17-13/h4-7,14,16H,1-3H3
InChIKeyUMQXKTCEUCYMGK-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
CID 65238991
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol (CID 107130699) is (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(C)c(C)s2)cc1F.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is UMQXKTCEUCYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c1-8-4-5-11(7-12(8)15)14(16)13-6-9(2)10(3)17-13/h4-7,14,16H,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol?
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 250.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107130699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).