(4-propylsulfanylphenyl)methanol

C10H14OS — CID 63812902

IUPAC(4-propylsulfanylphenyl)methanol
SMILESCCCSc1ccc(CO)cc1
InChIInChI=1S/C10H14OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyRYWYOZGLMRKATO-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.68
Rot. Bonds4

About (4-propylsulfanylphenyl)methanol

(4-propylsulfanylphenyl)methanol (PubChem CID 63812902) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-propylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-propylsulfanylphenyl)methanol
PubChem CID63812902
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(4-propylsulfanylphenyl)methanol
SMILESCCCSc1ccc(CO)cc1
InChIInChI=1S/C10H14OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyRYWYOZGLMRKATO-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propylsulfanylphenyl)methanol?
The IUPAC name of (4-propylsulfanylphenyl)methanol (CID 63812902) is (4-propylsulfanylphenyl)methanol.
What is the SMILES notation for (4-propylsulfanylphenyl)methanol?
The canonical SMILES for (4-propylsulfanylphenyl)methanol is CCCSc1ccc(CO)cc1.
What is the InChIKey of (4-propylsulfanylphenyl)methanol?
The InChIKey is RYWYOZGLMRKATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,11H,2,7-8H2,1H3.
What are the key properties of (4-propylsulfanylphenyl)methanol?
(4-propylsulfanylphenyl)methanol has a molecular weight of 182.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylsulfanylphenyl)methanol is sourced from PubChem (CID 63812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).