2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol

C14H26Cl2O2 — CID 141066493

IUPAC2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol
SMILESOCC(CCl)CC1(CC(CO)CCl)CCCCC1
InChIInChI=1S/C14H26Cl2O2/c15-8-12(10-17)6-14(4-2-1-3-5-14)7-13(9-16)11-18/h12-13,17-18H,1-11H2
InChIKeyTUPURFFVZKXZFI-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.41
Rot. Bonds8

About 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol

2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol (PubChem CID 141066493) has the molecular formula C14H26Cl2O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol
PubChem CID141066493
Molecular FormulaC14H26Cl2O2
Molecular Weight297.27 g/mol
Exact Mass296.13
IUPAC Name2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol
SMILESOCC(CCl)CC1(CC(CO)CCl)CCCCC1
InChIInChI=1S/C14H26Cl2O2/c15-8-12(10-17)6-14(4-2-1-3-5-14)7-13(9-16)11-18/h12-13,17-18H,1-11H2
InChIKeyTUPURFFVZKXZFI-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol?
The IUPAC name of 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol (CID 141066493) is 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol is OCC(CCl)CC1(CC(CO)CCl)CCCCC1.
What is the InChIKey of 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol?
The InChIKey is TUPURFFVZKXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Cl2O2/c15-8-12(10-17)6-14(4-2-1-3-5-14)7-13(9-16)11-18/h12-13,17-18H,1-11H2.
What are the key properties of 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol?
2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol has a molecular weight of 297.27 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[1-[2-(chloromethyl)-3-hydroxypropyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 141066493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).