1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol

C12H14Cl2O2 — CID 103456938

IUPAC1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
SMILESOC(Cc1c(Cl)cccc1Cl)C(O)C1CC1
InChIInChI=1S/C12H14Cl2O2/c13-9-2-1-3-10(14)8(9)6-11(15)12(16)7-4-5-7/h1-3,7,11-12,15-16H,4-6H2
InChIKeyPRIKBATWSGQIRT-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol

1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol (PubChem CID 103456938) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
PubChem CID103456938
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
SMILESOC(Cc1c(Cl)cccc1Cl)C(O)C1CC1
InChIInChI=1S/C12H14Cl2O2/c13-9-2-1-3-10(14)8(9)6-11(15)12(16)7-4-5-7/h1-3,7,11-12,15-16H,4-6H2
InChIKeyPRIKBATWSGQIRT-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-(2-adamantyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782445
1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
1-(2,6-dichlorophenyl)-3-methoxyhexan-2-ol
CID 116711728
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol?
The IUPAC name of 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol (CID 103456938) is 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol is OC(Cc1c(Cl)cccc1Cl)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol?
The InChIKey is PRIKBATWSGQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c13-9-2-1-3-10(14)8(9)6-11(15)12(16)7-4-5-7/h1-3,7,11-12,15-16H,4-6H2.
What are the key properties of 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol?
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol has a molecular weight of 261.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol is sourced from PubChem (CID 103456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).