1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol

C10H12Cl2OS — CID 107969888

IUPAC1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2OS/c1-6(2)3-4-8(13)7-5-9(11)14-10(7)12/h5,8,13H,1,3-4H2,2H3
InChIKeyHMUGYMHREMYOJH-UHFFFAOYSA-N
MW251.18 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol

1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol (PubChem CID 107969888) has the molecular formula C10H12Cl2OS and a molecular weight of 251.18 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol
PubChem CID107969888
Molecular FormulaC10H12Cl2OS
Molecular Weight251.18 g/mol
Exact Mass250.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl2OS/c1-6(2)3-4-8(13)7-5-9(11)14-10(7)12/h5,8,13H,1,3-4H2,2H3
InChIKeyHMUGYMHREMYOJH-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 54.44
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

3-cyclopentyl-1-(2,5-dichlorothiophen-3-yl)propan-1-ol
CID 63426516
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 107968621
1-(2,5-dimethylfuran-3-yl)-4-methylpent-4-en-1-ol
CID 115834380
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
CID 115834495
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
CID 114473996
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 105127443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol (CID 107969888) is 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol?
The InChIKey is HMUGYMHREMYOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2OS/c1-6(2)3-4-8(13)7-5-9(11)14-10(7)12/h5,8,13H,1,3-4H2,2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol?
1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol has a molecular weight of 251.18 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 107969888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).