2-methyl-1-(4-sulfanylphenyl)propan-1-ol

C10H14OS — CID 123891512

IUPAC2-methyl-1-(4-sulfanylphenyl)propan-1-ol
SMILESCC(C)C(O)c1ccc(S)cc1
InChIInChI=1S/C10H14OS/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10-12H,1-2H3
InChIKeyTXQNDQGPXGKEBN-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-1-(4-sulfanylphenyl)propan-1-ol

2-methyl-1-(4-sulfanylphenyl)propan-1-ol (PubChem CID 123891512) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-methyl-1-(4-sulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-sulfanylphenyl)propan-1-ol
PubChem CID123891512
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2-methyl-1-(4-sulfanylphenyl)propan-1-ol
SMILESCC(C)C(O)c1ccc(S)cc1
InChIInChI=1S/C10H14OS/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10-12H,1-2H3
InChIKeyTXQNDQGPXGKEBN-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-sulfanylphenyl)propan-1-ol?
The IUPAC name of 2-methyl-1-(4-sulfanylphenyl)propan-1-ol (CID 123891512) is 2-methyl-1-(4-sulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-sulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(4-sulfanylphenyl)propan-1-ol is CC(C)C(O)c1ccc(S)cc1.
What is the InChIKey of 2-methyl-1-(4-sulfanylphenyl)propan-1-ol?
The InChIKey is TXQNDQGPXGKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-7(2)10(11)8-3-5-9(12)6-4-8/h3-7,10-12H,1-2H3.
What are the key properties of 2-methyl-1-(4-sulfanylphenyl)propan-1-ol?
2-methyl-1-(4-sulfanylphenyl)propan-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-sulfanylphenyl)propan-1-ol is sourced from PubChem (CID 123891512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).