1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol

C9H13ClO2 — CID 106693915

IUPAC1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccoc1Cl
InChIInChI=1S/C9H13ClO2/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3
InChIKeyJMYOIQYVQNXOCJ-UHFFFAOYSA-N
MW188.65 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol

1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol (PubChem CID 106693915) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
PubChem CID106693915
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccoc1Cl
InChIInChI=1S/C9H13ClO2/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3
InChIKeyJMYOIQYVQNXOCJ-UHFFFAOYSA-N
XLogP3.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-2-ethylbutan-1-amine
CID 106692648
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
CID 106693965
1-(2-chlorofuran-3-yl)-3-methylidenepentan-1-ol
CID 106693858
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
CID 106692544
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
CID 106690371
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol (CID 106693915) is 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol?
The InChIKey is JMYOIQYVQNXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol?
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol has a molecular weight of 188.65 g/mol, XLogP of 3.01, 3 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)-2-methylbutan-1-ol is sourced from PubChem (CID 106693915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).