1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol

C13H16Cl2O2 — CID 116712594

IUPAC1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H16Cl2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,16H,5-7H2,1H3
InChIKeyYZFCSGMHWUWYJC-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol

1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol (PubChem CID 116712594) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
PubChem CID116712594
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C13H16Cl2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,16H,5-7H2,1H3
InChIKeyYZFCSGMHWUWYJC-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol?
The IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol (CID 116712594) is 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol is COC(C(O)Cc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol?
The InChIKey is YZFCSGMHWUWYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-17-13(8-5-6-8)12(16)7-9-10(14)3-2-4-11(9)15/h2-4,8,12-13,16H,5-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol?
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol has a molecular weight of 275.17 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 116712594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).