(3-pentan-2-ylsulfanylphenyl)methanol

C12H18OS — CID 107887985

IUPAC(3-pentan-2-ylsulfanylphenyl)methanol
SMILESCCCC(C)Sc1cccc(CO)c1
InChIInChI=1S/C12H18OS/c1-3-5-10(2)14-12-7-4-6-11(8-12)9-13/h4,6-8,10,13H,3,5,9H2,1-2H3
InChIKeyYVPOWODKCMWYIS-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.46
Rot. Bonds5

About (3-pentan-2-ylsulfanylphenyl)methanol

(3-pentan-2-ylsulfanylphenyl)methanol (PubChem CID 107887985) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (3-pentan-2-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-pentan-2-ylsulfanylphenyl)methanol
PubChem CID107887985
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(3-pentan-2-ylsulfanylphenyl)methanol
SMILESCCCC(C)Sc1cccc(CO)c1
InChIInChI=1S/C12H18OS/c1-3-5-10(2)14-12-7-4-6-11(8-12)9-13/h4,6-8,10,13H,3,5,9H2,1-2H3
InChIKeyYVPOWODKCMWYIS-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
(3-pentylsulfanylphenyl)methanol
CID 66347769
[3-(hydroxymethyl)phenyl] thiohypochlorite
CID 87965479
1-amino-3-methylpentan-2-one;2-methylpentane;(3-methylphenyl)methanol
CID 142121434
2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 66348561
2-[3-(propylaminomethyl)phenyl]sulfanylpentanoic acid
CID 83046689
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425695
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
1-butan-2-ylsulfanyl-3-fluorobenzene
CID 131103530
2-[3-[(tert-butylamino)methyl]phenyl]sulfanylpentanoic acid
CID 83047078

Frequently Asked Questions

What is the IUPAC name of (3-pentan-2-ylsulfanylphenyl)methanol?
The IUPAC name of (3-pentan-2-ylsulfanylphenyl)methanol (CID 107887985) is (3-pentan-2-ylsulfanylphenyl)methanol.
What is the SMILES notation for (3-pentan-2-ylsulfanylphenyl)methanol?
The canonical SMILES for (3-pentan-2-ylsulfanylphenyl)methanol is CCCC(C)Sc1cccc(CO)c1.
What is the InChIKey of (3-pentan-2-ylsulfanylphenyl)methanol?
The InChIKey is YVPOWODKCMWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-5-10(2)14-12-7-4-6-11(8-12)9-13/h4,6-8,10,13H,3,5,9H2,1-2H3.
What are the key properties of (3-pentan-2-ylsulfanylphenyl)methanol?
(3-pentan-2-ylsulfanylphenyl)methanol has a molecular weight of 210.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentan-2-ylsulfanylphenyl)methanol is sourced from PubChem (CID 107887985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).