1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol

C13H19ClO2 — CID 106867286

IUPAC1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-3-6-16-9-12(15)8-11-5-4-10(2)7-13(11)14/h4-5,7,12,15H,3,6,8-9H2,1-2H3
InChIKeyIDYPUXUQIVTBTO-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol

1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol (PubChem CID 106867286) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
PubChem CID106867286
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
SMILESCCCOCC(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C13H19ClO2/c1-3-6-16-9-12(15)8-11-5-4-10(2)7-13(11)14/h4-5,7,12,15H,3,6,8-9H2,1-2H3
InChIKeyIDYPUXUQIVTBTO-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
1-(2,6-dichlorophenyl)-3-propoxypropan-2-ol
CID 62607303
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol (CID 106867286) is 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol is CCCOCC(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol?
The InChIKey is IDYPUXUQIVTBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-3-6-16-9-12(15)8-11-5-4-10(2)7-13(11)14/h4-5,7,12,15H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol?
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol is sourced from PubChem (CID 106867286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).