4-(2-methylidenebutylsulfanyl)phenol

C11H14OS — CID 66039013

IUPAC4-(2-methylidenebutylsulfanyl)phenol
SMILESC=C(CC)CSc1ccc(O)cc1
InChIInChI=1S/C11H14OS/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,12H,2-3,8H2,1H3
InChIKeyTWBCXPHDIVWMJK-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.45
Rot. Bonds4

About 4-(2-methylidenebutylsulfanyl)phenol

4-(2-methylidenebutylsulfanyl)phenol (PubChem CID 66039013) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(2-methylidenebutylsulfanyl)phenol.

Molecular Properties

Compound Name4-(2-methylidenebutylsulfanyl)phenol
PubChem CID66039013
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4-(2-methylidenebutylsulfanyl)phenol
SMILESC=C(CC)CSc1ccc(O)cc1
InChIInChI=1S/C11H14OS/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,12H,2-3,8H2,1H3
InChIKeyTWBCXPHDIVWMJK-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebutylsulfanyl)phenol?
The IUPAC name of 4-(2-methylidenebutylsulfanyl)phenol (CID 66039013) is 4-(2-methylidenebutylsulfanyl)phenol.
What is the SMILES notation for 4-(2-methylidenebutylsulfanyl)phenol?
The canonical SMILES for 4-(2-methylidenebutylsulfanyl)phenol is C=C(CC)CSc1ccc(O)cc1.
What is the InChIKey of 4-(2-methylidenebutylsulfanyl)phenol?
The InChIKey is TWBCXPHDIVWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h4-7,12H,2-3,8H2,1H3.
What are the key properties of 4-(2-methylidenebutylsulfanyl)phenol?
4-(2-methylidenebutylsulfanyl)phenol has a molecular weight of 194.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebutylsulfanyl)phenol is sourced from PubChem (CID 66039013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).