3-(4-Chloro-3-methylphenyl)-2-propyne-1-ol

HCID 59407828
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Basic information

CAS
1093173-24-0
Standard SMILES
Cc1cc(C#CCO)ccc1Cl
InChIKey
DOTHYUQRRSMRKW-UHFFFAOYSA-N
Molecular formula
C10H9ClO
Average molar mass
180.63 g/mol
Monoisotopic mass
180.0341926

Names & identifiers

Preferred name
3-(4-Chloro-3-methylphenyl)-2-propyne-1-ol
IUPAC
3-(4-chloro-3-methylphenyl)prop-2-yn-1-ol

Names & synonyms

3-(4-chloro-3-methylphenyl)-2-propyne-1-olSCHEMBL81541SCHEMBL3730099DOTHYUQRRSMRKW-UHFFFAOYSA-NDTXSID1012719961093173-24-03-(4-Chloro-3-methylphenyl)-2-propyn-1-ol3-(4-chloro-3-methylphenyl)prop-2-yn-1-ol

Database identifiers

CAS
1093173-24-0
PubChem CID
59407828
DTXSID
DTXSID101271996

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Related reactions

4 records
New reaction record

Compound notes

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