(4-prop-2-ynylsulfanylphenyl)methanol

C10H10OS — CID 75525745

IUPAC(4-prop-2-ynylsulfanylphenyl)methanol
SMILESC#CCSc1ccc(CO)cc1
InChIInChI=1S/C10H10OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,11H,7-8H2
InChIKeyNAEFTHQAIIQQKO-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.90
Rot. Bonds3

About (4-prop-2-ynylsulfanylphenyl)methanol

(4-prop-2-ynylsulfanylphenyl)methanol (PubChem CID 75525745) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is (4-prop-2-ynylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-prop-2-ynylsulfanylphenyl)methanol
PubChem CID75525745
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name(4-prop-2-ynylsulfanylphenyl)methanol
SMILESC#CCSc1ccc(CO)cc1
InChIInChI=1S/C10H10OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,11H,7-8H2
InChIKeyNAEFTHQAIIQQKO-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-ynylsulfanylphenyl)methanol?
The IUPAC name of (4-prop-2-ynylsulfanylphenyl)methanol (CID 75525745) is (4-prop-2-ynylsulfanylphenyl)methanol.
What is the SMILES notation for (4-prop-2-ynylsulfanylphenyl)methanol?
The canonical SMILES for (4-prop-2-ynylsulfanylphenyl)methanol is C#CCSc1ccc(CO)cc1.
What is the InChIKey of (4-prop-2-ynylsulfanylphenyl)methanol?
The InChIKey is NAEFTHQAIIQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,11H,7-8H2.
What are the key properties of (4-prop-2-ynylsulfanylphenyl)methanol?
(4-prop-2-ynylsulfanylphenyl)methanol has a molecular weight of 178.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-ynylsulfanylphenyl)methanol is sourced from PubChem (CID 75525745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).