1-(2-chlorofuran-3-yl)hex-5-yn-1-ol

C10H11ClO2 — CID 106693985

IUPAC1-(2-chlorofuran-3-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1ccoc1Cl
InChIInChI=1S/C10H11ClO2/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9,12H,3-5H2
InChIKeyBZRWYNAYPRBBSF-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.77
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol

1-(2-chlorofuran-3-yl)hex-5-yn-1-ol (PubChem CID 106693985) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)hex-5-yn-1-ol
PubChem CID106693985
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(2-chlorofuran-3-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1ccoc1Cl
InChIInChI=1S/C10H11ClO2/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9,12H,3-5H2
InChIKeyBZRWYNAYPRBBSF-UHFFFAOYSA-N
XLogP2.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorofuran-3-yl)hex-5-yn-1-amine
CID 106692996
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
CID 106693965
1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-(2-chlorofuran-3-yl)-3-methylidenepentan-1-ol
CID 106693858
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
CID 104790484
1-(2-chlorofuran-3-yl)prop-2-ynylhydrazine
CID 106694507

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol?
The IUPAC name of 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol (CID 106693985) is 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol?
The canonical SMILES for 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol is C#CCCCC(O)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol?
The InChIKey is BZRWYNAYPRBBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9,12H,3-5H2.
What are the key properties of 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol?
1-(2-chlorofuran-3-yl)hex-5-yn-1-ol has a molecular weight of 198.65 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)hex-5-yn-1-ol is sourced from PubChem (CID 106693985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).