4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol

C19H27IO2 — CID 143210120

IUPAC4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(CCC3CCC(I)OC3)cc2)CC1
InChIInChI=1S/C19H27IO2/c20-19-12-5-15(13-22-19)2-1-14-3-6-16(7-4-14)17-8-10-18(21)11-9-17/h3-4,6-7,15,17-19,21H,1-2,5,8-13H2
InChIKeyUSKPPQOJRZVBGT-UHFFFAOYSA-N
MW414.33 g/mol
LogP4.83
Rot. Bonds4

About 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol

4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol (PubChem CID 143210120) has the molecular formula C19H27IO2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol
PubChem CID143210120
Molecular FormulaC19H27IO2
Molecular Weight414.33 g/mol
Exact Mass414.11
IUPAC Name4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(CCC3CCC(I)OC3)cc2)CC1
InChIInChI=1S/C19H27IO2/c20-19-12-5-15(13-22-19)2-1-14-3-6-16(7-4-14)17-8-10-18(21)11-9-17/h3-4,6-7,15,17-19,21H,1-2,5,8-13H2
InChIKeyUSKPPQOJRZVBGT-UHFFFAOYSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol (CID 143210120) is 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol is OC1CCC(c2ccc(CCC3CCC(I)OC3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol?
The InChIKey is USKPPQOJRZVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27IO2/c20-19-12-5-15(13-22-19)2-1-14-3-6-16(7-4-14)17-8-10-18(21)11-9-17/h3-4,6-7,15,17-19,21H,1-2,5,8-13H2.
What are the key properties of 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol?
4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol has a molecular weight of 414.33 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-iodooxan-3-yl)ethyl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 143210120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).