1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol

C10H16O3 — CID 103027526

IUPAC1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccco1
InChIInChI=1S/C10H16O3/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8,11H,7H2,1-3H3
InChIKeyLXTBFODWBOXFQA-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.13
Rot. Bonds4

About 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol

1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027526) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027526
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccco1
InChIInChI=1S/C10H16O3/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8,11H,7H2,1-3H3
InChIKeyLXTBFODWBOXFQA-UHFFFAOYSA-N
XLogP2.13
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993461
methyl 4-(furan-2-yl)-4-hydroxy-2-oxobutanoate
CID 135218937
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol (CID 103027526) is 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is LXTBFODWBOXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2,12-3)7-8(11)9-5-4-6-13-9/h4-6,8,11H,7H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol?
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).