[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol

C18H22OS — CID 79217563

IUPAC[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C18H22OS/c1-13(2)12-14-4-6-15(7-5-14)18(19)16-8-10-17(20-3)11-9-16/h4-11,13,18-19H,12H2,1-3H3
InChIKeyUNXPDMJVLDOAOQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.69
Rot. Bonds5

About [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol

[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol (PubChem CID 79217563) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
PubChem CID79217563
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C18H22OS/c1-13(2)12-14-4-6-15(7-5-14)18(19)16-8-10-17(20-3)11-9-16/h4-11,13,18-19H,12H2,1-3H3
InChIKeyUNXPDMJVLDOAOQ-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100681
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 65100834
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-methyl-N-[1-(4-methylsulfanylphenyl)propan-2-yl]hydroxylamine
CID 44613190
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
[4-(2-methylpropyl)phenyl] thiohypofluorite
CID 143247529
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol (CID 79217563) is [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol is CSc1ccc(C(O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol?
The InChIKey is UNXPDMJVLDOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13(2)12-14-4-6-15(7-5-14)18(19)16-8-10-17(20-3)11-9-16/h4-11,13,18-19H,12H2,1-3H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol?
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol has a molecular weight of 286.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 79217563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).