2-(furan-2-yl)-4-methoxybutan-2-ol

C9H14O3 — CID 63949969

IUPAC2-(furan-2-yl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1ccco1
InChIInChI=1S/C9H14O3/c1-9(10,5-7-11-2)8-4-3-6-12-8/h3-4,6,10H,5,7H2,1-2H3
InChIKeyCNEXUCXZQVUXQT-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.52
Rot. Bonds4

About 2-(furan-2-yl)-4-methoxybutan-2-ol

2-(furan-2-yl)-4-methoxybutan-2-ol (PubChem CID 63949969) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methoxybutan-2-ol
PubChem CID63949969
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(furan-2-yl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1ccco1
InChIInChI=1S/C9H14O3/c1-9(10,5-7-11-2)8-4-3-6-12-8/h3-4,6,10H,5,7H2,1-2H3
InChIKeyCNEXUCXZQVUXQT-UHFFFAOYSA-N
XLogP1.52
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
CID 66001662
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-(3-bromofuran-2-yl)-4-methoxybutan-2-ol
CID 63948408
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111519257
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111671766

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(furan-2-yl)-4-methoxybutan-2-ol (CID 63949969) is 2-(furan-2-yl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-4-methoxybutan-2-ol is COCCC(C)(O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-methoxybutan-2-ol?
The InChIKey is CNEXUCXZQVUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(10,5-7-11-2)8-4-3-6-12-8/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-methoxybutan-2-ol?
2-(furan-2-yl)-4-methoxybutan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methoxybutan-2-ol is sourced from PubChem (CID 63949969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).