1-chloro-2-methoxybutane

C5H11ClO — CID 20783140

IUPAC1-chloro-2-methoxybutane
SMILESCCC(CCl)OC
InChIInChI=1S/C5H11ClO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyIHCSULNMPUERRT-UHFFFAOYSA-N
MW122.59 g/mol
LogP1.65
Rot. Bonds3

About 1-chloro-2-methoxybutane

1-chloro-2-methoxybutane (PubChem CID 20783140) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 1-chloro-2-methoxybutane.

Molecular Properties

Compound Name1-chloro-2-methoxybutane
PubChem CID20783140
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name1-chloro-2-methoxybutane
SMILESCCC(CCl)OC
InChIInChI=1S/C5H11ClO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyIHCSULNMPUERRT-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methoxypropan-1-ol;ethane
CID 153379962
(2S)-2-methoxybutan-1-amine
CID 42427147
(1S,3R)-4-chloro-1,3-dimethoxybutan-1-ol
CID 97050424
copper bis(2-methoxybutan-1-olate)
CID 88518722
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
ethane;2-methoxybutan-1-ol
CID 174440725
1-chlorobutan-2-yl acetate
CID 12575174
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811
3-methoxypentane;1-methoxypropane
CID 54391478
tris(decane);1,3-dichloro-2-methoxypropane;methoxycyclobutane;2-methoxy-1-methylsulfanylbutane
CID 160640678
1-chlorobutan-2-yl 2-hydroxyacetate
CID 174642743
ethyl (3R,5S)-6-chloro-3,5-dimethoxyhexanoate
CID 141443052

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxybutane?
The IUPAC name of 1-chloro-2-methoxybutane (CID 20783140) is 1-chloro-2-methoxybutane.
What is the SMILES notation for 1-chloro-2-methoxybutane?
The canonical SMILES for 1-chloro-2-methoxybutane is CCC(CCl)OC.
What is the InChIKey of 1-chloro-2-methoxybutane?
The InChIKey is IHCSULNMPUERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-methoxybutane?
1-chloro-2-methoxybutane has a molecular weight of 122.59 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxybutane is sourced from PubChem (CID 20783140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).