(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol

C10H12OS — CID 10773724

IUPAC(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol
SMILESCSc1ccc(/C=C/CO)cc1
InChIInChI=1S/C10H12OS/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyCYEZGNXSQXNLBW-NSCUHMNNSA-N
MW180.27 g/mol
LogP2.41
Rot. Bonds3

About (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol

(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol (PubChem CID 10773724) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol
PubChem CID10773724
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol
SMILESCSc1ccc(/C=C/CO)cc1
InChIInChI=1S/C10H12OS/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
InChIKeyCYEZGNXSQXNLBW-NSCUHMNNSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol (CID 10773724) is (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol is CSc1ccc(/C=C/CO)cc1.
What is the InChIKey of (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol?
The InChIKey is CYEZGNXSQXNLBW-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12OS/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol?
(E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol has a molecular weight of 180.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylsulfanylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 10773724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).