(2-cyclopropyl-3-methylsulfanylphenyl)methanol

C11H14OS — CID 118269154

IUPAC(2-cyclopropyl-3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(CO)c1C1CC1
InChIInChI=1S/C11H14OS/c1-13-10-4-2-3-9(7-12)11(10)8-5-6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyHLXWWFOQDDITKL-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.78
Rot. Bonds3

About (2-cyclopropyl-3-methylsulfanylphenyl)methanol

(2-cyclopropyl-3-methylsulfanylphenyl)methanol (PubChem CID 118269154) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (2-cyclopropyl-3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-3-methylsulfanylphenyl)methanol
PubChem CID118269154
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(2-cyclopropyl-3-methylsulfanylphenyl)methanol
SMILESCSc1cccc(CO)c1C1CC1
InChIInChI=1S/C11H14OS/c1-13-10-4-2-3-9(7-12)11(10)8-5-6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyHLXWWFOQDDITKL-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-cyclopropylphenyl)methanol
CID 118269674
2-cyclopropyl-1-ethenyl-3-methylsulfanylbenzene
CID 118269230
(2-ethoxy-3-methylsulfanylphenyl)methanol
CID 118269349
7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 15329434
1-methyl-7-methylsulfanyl-2,3-dihydro-1H-indene
CID 138498139
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
(3aR,5S,6S,7aS)-2-[(2-methylsulfanylphenyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77091091
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366
(5-cyclopropyl-1,2-oxazol-4-yl)-[2-[(2-methylsulfanylphenyl)methyl]phenyl]methanone
CID 54389085
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711
1-cyclohexyl-2-(8-methylsulfanylnaphthalen-1-yl)ethanone
CID 162399218

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-3-methylsulfanylphenyl)methanol?
The IUPAC name of (2-cyclopropyl-3-methylsulfanylphenyl)methanol (CID 118269154) is (2-cyclopropyl-3-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-cyclopropyl-3-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-cyclopropyl-3-methylsulfanylphenyl)methanol is CSc1cccc(CO)c1C1CC1.
What is the InChIKey of (2-cyclopropyl-3-methylsulfanylphenyl)methanol?
The InChIKey is HLXWWFOQDDITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-13-10-4-2-3-9(7-12)11(10)8-5-6-8/h2-4,8,12H,5-7H2,1H3.
What are the key properties of (2-cyclopropyl-3-methylsulfanylphenyl)methanol?
(2-cyclopropyl-3-methylsulfanylphenyl)methanol has a molecular weight of 194.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 118269154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).