[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol

C10H16Cl2O2 — CID 106825455

IUPAC[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C10H16Cl2O2/c11-5-9(12)7-14-10-3-1-8(6-13)2-4-10/h5,8,10,13H,1-4,6-7H2
InChIKeyRCHCTVMQSGKFGF-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.87
Rot. Bonds4

About [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol

[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol (PubChem CID 106825455) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol
PubChem CID106825455
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C10H16Cl2O2/c11-5-9(12)7-14-10-3-1-8(6-13)2-4-10/h5,8,10,13H,1-4,6-7H2
InChIKeyRCHCTVMQSGKFGF-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol?
The IUPAC name of [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol (CID 106825455) is [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol is OCC1CCC(OCC(Cl)=CCl)CC1.
What is the InChIKey of [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol?
The InChIKey is RCHCTVMQSGKFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c11-5-9(12)7-14-10-3-1-8(6-13)2-4-10/h5,8,10,13H,1-4,6-7H2.
What are the key properties of [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol?
[4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol has a molecular weight of 239.14 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichloroprop-2-enoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).