1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol

C10H15ClO2 — CID 106693662

IUPAC1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClO2/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyBVGMTPZSBORTCW-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol

1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol (PubChem CID 106693662) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
PubChem CID106693662
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClO2/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyBVGMTPZSBORTCW-UHFFFAOYSA-N
XLogP3.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
(1R)-2-amino-1-(5-chlorofuran-2-yl)ethanol
CID 96633937
1-amino-1-(5-chlorofuran-2-yl)butan-2-ol
CID 130143451
1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 106693642
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorofuran-2-yl)propylhydrazine
CID 106694131
1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 106693567
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
CID 130151724
3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol
CID 115789282
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 106691831

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol (CID 106693662) is 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol is CCC(C)CC(O)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol?
The InChIKey is BVGMTPZSBORTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-3-7(2)6-8(12)9-4-5-10(11)13-9/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol?
1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol has a molecular weight of 202.68 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 106693662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).