1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol

C14H20OS — CID 106848426

IUPAC1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(SCC)cc1
InChIInChI=1S/C14H20OS/c1-4-16-13-8-6-12(7-9-13)14(15)10-5-11(2)3/h6-9,14-15H,2,4-5,10H2,1,3H3
InChIKeyAPOSEVZUAYCWHP-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol

1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol (PubChem CID 106848426) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
PubChem CID106848426
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ccc(SCC)cc1
InChIInChI=1S/C14H20OS/c1-4-16-13-8-6-12(7-9-13)14(15)10-5-11(2)3/h6-9,14-15H,2,4-5,10H2,1,3H3
InChIKeyAPOSEVZUAYCWHP-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
4-methyl-1-pyrimidin-5-ylpent-4-en-1-ol
CID 102924122
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
CID 115834495
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol (CID 106848426) is 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol?
The InChIKey is APOSEVZUAYCWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-4-16-13-8-6-12(7-9-13)14(15)10-5-11(2)3/h6-9,14-15H,2,4-5,10H2,1,3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol?
1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol has a molecular weight of 236.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 106848426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).