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

C12H14Cl2O — CID 115810911

IUPAC3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
SMILESOC(CCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O/c13-9-2-1-3-10(14)12(9)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyINMYKFJWZJWUQI-UHFFFAOYSA-N
MW245.15 g/mol
LogP4.22
Rot. Bonds4

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

3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 115810911) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
PubChem CID115810911
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol
SMILESOC(CCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O/c13-9-2-1-3-10(14)12(9)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyINMYKFJWZJWUQI-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
(1S)-1-(2,6-dichlorophenyl)propane-1,3-diol
CID 90422655
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
1-(3-bromo-4-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115566287
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol (CID 115810911) is 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol is OC(CCC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is INMYKFJWZJWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c13-9-2-1-3-10(14)12(9)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2.
What are the key properties of 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol?
3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol has a molecular weight of 245.15 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 115810911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).