1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol

C12H14Cl2O — CID 64515130

IUPAC1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
SMILESOC(CCc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeyBKTSDYDAHBTLBN-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol

1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol (PubChem CID 64515130) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
PubChem CID64515130
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol
SMILESOC(CCc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8,12,15H,1-3,6H2
InChIKeyBKTSDYDAHBTLBN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
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2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
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CID 95375914
1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
CID 64990273
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
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CID 80622903

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol (CID 64515130) is 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol is OC(CCc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol?
The InChIKey is BKTSDYDAHBTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c13-10-4-5-11(14)9(7-10)3-6-12(15)8-1-2-8/h4-5,7-8,12,15H,1-3,6H2.
What are the key properties of 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol?
1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 64515130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).