3-chloro-2-prop-2-ynoxypropan-1-ol

C6H9ClO2 — CID 175131526

IUPAC3-chloro-2-prop-2-ynoxypropan-1-ol
SMILESC#CCOC(CO)CCl
InChIInChI=1S/C6H9ClO2/c1-2-3-9-6(4-7)5-8/h1,6,8H,3-5H2
InChIKeyHUTVUGGUROFGLI-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.24
Rot. Bonds4

About 3-chloro-2-prop-2-ynoxypropan-1-ol

3-chloro-2-prop-2-ynoxypropan-1-ol (PubChem CID 175131526) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 3-chloro-2-prop-2-ynoxypropan-1-ol.

Molecular Properties

Compound Name3-chloro-2-prop-2-ynoxypropan-1-ol
PubChem CID175131526
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name3-chloro-2-prop-2-ynoxypropan-1-ol
SMILESC#CCOC(CO)CCl
InChIInChI=1S/C6H9ClO2/c1-2-3-9-6(4-7)5-8/h1,6,8H,3-5H2
InChIKeyHUTVUGGUROFGLI-UHFFFAOYSA-N
XLogP0.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynoxypropan-1-ol
CID 12951375
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830
3-chloro-2-methoxypropan-1-ol;ethane
CID 153379962
3-chloro-2-phenylmethoxypropan-1-ol
CID 13356685
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
3-(2-bromo-1-prop-2-ynoxyethoxy)prop-1-yne
CID 12853176
1-prop-2-ynoxyethanamine
CID 22236862
2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol
CID 158558957
(3S)-2-methyl-3-phenyl-3-prop-2-ynoxypropan-1-ol
CID 129208683
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
CID 44557469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-prop-2-ynoxypropan-1-ol?
The IUPAC name of 3-chloro-2-prop-2-ynoxypropan-1-ol (CID 175131526) is 3-chloro-2-prop-2-ynoxypropan-1-ol.
What is the SMILES notation for 3-chloro-2-prop-2-ynoxypropan-1-ol?
The canonical SMILES for 3-chloro-2-prop-2-ynoxypropan-1-ol is C#CCOC(CO)CCl.
What is the InChIKey of 3-chloro-2-prop-2-ynoxypropan-1-ol?
The InChIKey is HUTVUGGUROFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-2-3-9-6(4-7)5-8/h1,6,8H,3-5H2.
What are the key properties of 3-chloro-2-prop-2-ynoxypropan-1-ol?
3-chloro-2-prop-2-ynoxypropan-1-ol has a molecular weight of 148.59 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-prop-2-ynoxypropan-1-ol is sourced from PubChem (CID 175131526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).