(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol

C14H13F5O2S — CID 91927376

IUPAC(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2cccc(S(F)(F)(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F5O2S/c1-21-12-7-5-10(6-8-12)14(20)11-3-2-4-13(9-11)22(15,16,17,18)19/h2-9,14,20H,1H3
InChIKeyBNQLDJFSIYQZLQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.43
Rot. Bonds4

About (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol

(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol (PubChem CID 91927376) has the molecular formula C14H13F5O2S and a molecular weight of 340.31 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
PubChem CID91927376
Molecular FormulaC14H13F5O2S
Molecular Weight340.31 g/mol
Exact Mass340.06
IUPAC Name(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
SMILESCOc1ccc(C(O)c2cccc(S(F)(F)(F)(F)F)c2)cc1
InChIInChI=1S/C14H13F5O2S/c1-21-12-7-5-10(6-8-12)14(20)11-3-2-4-13(9-11)22(15,16,17,18)19/h2-9,14,20H,1H3
InChIKeyBNQLDJFSIYQZLQ-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The IUPAC name of (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol (CID 91927376) is (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol is COc1ccc(C(O)c2cccc(S(F)(F)(F)(F)F)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
The InChIKey is BNQLDJFSIYQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5O2S/c1-21-12-7-5-10(6-8-12)14(20)11-3-2-4-13(9-11)22(15,16,17,18)19/h2-9,14,20H,1H3.
What are the key properties of (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol?
(4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol has a molecular weight of 340.31 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol is sourced from PubChem (CID 91927376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).