[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol

C11H19ClO2 — CID 106439008

IUPAC[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol
SMILESCC(=CCl)COC1CCC(CO)CC1
InChIInChI=1S/C11H19ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h6,10-11,13H,2-5,7-8H2,1H3
InChIKeyIYEUFPYNLBPXGT-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.70
Rot. Bonds4

About [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol

[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol (PubChem CID 106439008) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol
PubChem CID106439008
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol
SMILESCC(=CCl)COC1CCC(CO)CC1
InChIInChI=1S/C11H19ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h6,10-11,13H,2-5,7-8H2,1H3
InChIKeyIYEUFPYNLBPXGT-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol?
The IUPAC name of [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol (CID 106439008) is [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol is CC(=CCl)COC1CCC(CO)CC1.
What is the InChIKey of [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol?
The InChIKey is IYEUFPYNLBPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-9(6-12)8-14-11-4-2-10(7-13)3-5-11/h6,10-11,13H,2-5,7-8H2,1H3.
What are the key properties of [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol?
[4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol has a molecular weight of 218.72 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-methylprop-2-enoxy)cyclohexyl]methanol is sourced from PubChem (CID 106439008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).