2-methoxypropan-1-ol

C4H10O2 — CID 14846

IUPAC2-methoxypropan-1-ol
SMILESCOC(C)CO
InChIInChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
InChIKeyYTTFFPATQICAQN-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.01
Rot. Bonds2

About 2-methoxypropan-1-ol

2-methoxypropan-1-ol (PubChem CID 14846) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 2-methoxypropan-1-ol.

Molecular Properties

Compound Name2-methoxypropan-1-ol
PubChem CID14846
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name2-methoxypropan-1-ol
SMILESCOC(C)CO
InChIInChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
InChIKeyYTTFFPATQICAQN-UHFFFAOYSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propylene Glycol
CID 1030
2,3-Butanediol
CID 262
1-Methoxy-2-propanol
CID 7900
Isopropylethanediol
CID 7996
1,2-Butanediol
CID 11429
Dipropylene Glycol
CID 134692469
(S)-propane-1,2-diol
CID 439846
Meso-2,3-Butanediol
CID 220010
Dipropylene glycol monomethyl ether
CID 25484
1-Propoxy-2-propanol
CID 15286
n-Butoxy-2-propanol
CID 21210
1,1'-Oxydi-2-propanol
CID 8087

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-1-ol?
The IUPAC name of 2-methoxypropan-1-ol (CID 14846) is 2-methoxypropan-1-ol.
What is the SMILES notation for 2-methoxypropan-1-ol?
The canonical SMILES for 2-methoxypropan-1-ol is COC(C)CO.
What is the InChIKey of 2-methoxypropan-1-ol?
The InChIKey is YTTFFPATQICAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3.
What are the key properties of 2-methoxypropan-1-ol?
2-methoxypropan-1-ol has a molecular weight of 90.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-1-ol is sourced from PubChem (CID 14846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).