4-methoxybutan-2-ol

C5H12O2 — CID 12651695

IUPAC4-methoxybutan-2-ol
SMILESCOCCC(C)O
InChIInChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyMETPUBMTPUYMGR-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.40
Rot. Bonds3

About 4-methoxybutan-2-ol

4-methoxybutan-2-ol (PubChem CID 12651695) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 4-methoxybutan-2-ol.

Molecular Properties

Compound Name4-methoxybutan-2-ol
PubChem CID12651695
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name4-methoxybutan-2-ol
SMILESCOCCC(C)O
InChIInChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyMETPUBMTPUYMGR-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Butanediol
CID 7896
(-)-1,3-Butanediol
CID 637497
2,4-Pentanediol
CID 12262
(+)-1,3-Butanediol
CID 446973
3-Methoxy-1,2-propanediol
CID 92822
3-Methoxy-1-butanol
CID 17291
Methoxymethylbutanol
CID 62118
3-Methoxy-1-propanol
CID 74116
1,3-Butanediol, 2-methyl-
CID 12698
1,2,3-Butanetriol
CID 20497
3,3'-Dihydroxydibutyl ether
CID 92141
2,3-Dimethoxypropan-1-ol
CID 12486323

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutan-2-ol?
The IUPAC name of 4-methoxybutan-2-ol (CID 12651695) is 4-methoxybutan-2-ol.
What is the SMILES notation for 4-methoxybutan-2-ol?
The canonical SMILES for 4-methoxybutan-2-ol is COCCC(C)O.
What is the InChIKey of 4-methoxybutan-2-ol?
The InChIKey is METPUBMTPUYMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methoxybutan-2-ol?
4-methoxybutan-2-ol has a molecular weight of 104.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutan-2-ol is sourced from PubChem (CID 12651695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).