(3-pent-4-enylsulfanylphenyl)methanol

C12H16OS — CID 66347975

IUPAC(3-pent-4-enylsulfanylphenyl)methanol
SMILESC=CCCCSc1cccc(CO)c1
InChIInChI=1S/C12H16OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h2,5-7,9,13H,1,3-4,8,10H2
InChIKeyOGWWOBMAURUTES-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.24
Rot. Bonds6

About (3-pent-4-enylsulfanylphenyl)methanol

(3-pent-4-enylsulfanylphenyl)methanol (PubChem CID 66347975) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (3-pent-4-enylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-pent-4-enylsulfanylphenyl)methanol
PubChem CID66347975
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(3-pent-4-enylsulfanylphenyl)methanol
SMILESC=CCCCSc1cccc(CO)c1
InChIInChI=1S/C12H16OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h2,5-7,9,13H,1,3-4,8,10H2
InChIKeyOGWWOBMAURUTES-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-pent-4-enylsulfanylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-pentylsulfanylphenyl)methanol
CID 66347769
4-[3-(hydroxymethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349537
[3-(3-methylsulfonylpropylsulfanyl)phenyl]methanol
CID 66346984
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044
CID 167493590
CID 167493590
methyl 3-[3-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 66347189
[3-(hydroxymethyl)phenyl] thiohypochlorite
CID 87965479
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
dec-9-en-1-ol;phenylmethanol
CID 159433557
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
(3R,4R)-1-phenylsulfanylnon-8-ene-3,4-diol
CID 11108307

Frequently Asked Questions

What is the IUPAC name of (3-pent-4-enylsulfanylphenyl)methanol?
The IUPAC name of (3-pent-4-enylsulfanylphenyl)methanol (CID 66347975) is (3-pent-4-enylsulfanylphenyl)methanol.
What is the SMILES notation for (3-pent-4-enylsulfanylphenyl)methanol?
The canonical SMILES for (3-pent-4-enylsulfanylphenyl)methanol is C=CCCCSc1cccc(CO)c1.
What is the InChIKey of (3-pent-4-enylsulfanylphenyl)methanol?
The InChIKey is OGWWOBMAURUTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-3-4-8-14-12-7-5-6-11(9-12)10-13/h2,5-7,9,13H,1,3-4,8,10H2.
What are the key properties of (3-pent-4-enylsulfanylphenyl)methanol?
(3-pent-4-enylsulfanylphenyl)methanol has a molecular weight of 208.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pent-4-enylsulfanylphenyl)methanol is sourced from PubChem (CID 66347975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).