1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol

C12H14Cl2O — CID 107309473

IUPAC1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H14Cl2O/c1-8(15)12(5-6-12)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyCHKUWVCFIMQDMK-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol

1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol (PubChem CID 107309473) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
PubChem CID107309473
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H14Cl2O/c1-8(15)12(5-6-12)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyCHKUWVCFIMQDMK-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
CID 106798541
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
1-(2,3-dichlorophenyl)-5-methylhexan-3-ol
CID 107309467
1,2-dichloro-3-[2-(1-chloroethyl)-3-methylbutyl]benzene
CID 107309498
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol (CID 107309473) is 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol is CC(O)C1(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol?
The InChIKey is CHKUWVCFIMQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8(15)12(5-6-12)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol?
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 107309473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).