1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol

C10H15ClO3 — CID 106694032

IUPAC1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10,12H,5-6H2,1-2H3
InChIKeyCWKPTKAHUUIEOA-UHFFFAOYSA-N
MW218.68 g/mol
LogP2.64
Rot. Bonds5

About 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol

1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 106694032) has the molecular formula C10H15ClO3 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol
PubChem CID106694032
Molecular FormulaC10H15ClO3
Molecular Weight218.68 g/mol
Exact Mass218.07
IUPAC Name1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1ccc(Cl)o1
InChIInChI=1S/C10H15ClO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10,12H,5-6H2,1-2H3
InChIKeyCWKPTKAHUUIEOA-UHFFFAOYSA-N
XLogP2.64
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660
(5-(3-Chlorophenyl)-2-furyl)methanol
CID 720975
[5-(2-Chlorophenyl)furan-2-yl]methanol
CID 4796268
1-(5-Methylfuran-2-yl)but-3-en-1-ol
CID 11062557
2-Furanmethanol, alpha-(2,6-dichlorophenyl)-
CID 164099
5-(3,5-Dichlorophenyl)-2-furanmethanol
CID 834823
(1S,2R)-1-(furan-2-yl)-2-methylbut-3-en-1-ol
CID 11286572
Furylcyclopropylcarbinol
CID 63950582
(4-Chlorophenyl)-(furan-2-yl)methanol
CID 10013294
1-(Furan-2-yl)-2-methylpropan-1-ol
CID 10103251
(5-Methylfuran-2-yl)-phenylmethanol
CID 10877891
Cyclohexyl-(5-methylfuran-2-yl)methanol
CID 11480992

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol (CID 106694032) is 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is CWKPTKAHUUIEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10,12H,5-6H2,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol?
1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 218.68 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 106694032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).