1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol

C10H13ClOS — CID 115817545

IUPAC1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClOS/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,8,12H,2-3,6H2,1H3
InChIKeyBHNYOFUOTLMOCF-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.79
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol

1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol (PubChem CID 115817545) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
PubChem CID115817545
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClOS/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,8,12H,2-3,6H2,1H3
InChIKeyBHNYOFUOTLMOCF-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 53.79
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-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 82120398
1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
CID 115725070
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022
1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
CID 112509961
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol (CID 115817545) is 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol?
The InChIKey is BHNYOFUOTLMOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,8,12H,2-3,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol?
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol has a molecular weight of 216.73 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 115817545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).