2-(4-chlorophenoxy)-1-cycloheptylethanol

C15H21ClO2 — CID 105122069

IUPAC2-(4-chlorophenoxy)-1-cycloheptylethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C15H21ClO2/c16-13-7-9-14(10-8-13)18-11-15(17)12-5-3-1-2-4-6-12/h7-10,12,15,17H,1-6,11H2
InChIKeyOSFMAULLOSNPLG-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-cycloheptylethanol

2-(4-chlorophenoxy)-1-cycloheptylethanol (PubChem CID 105122069) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-cycloheptylethanol
PubChem CID105122069
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-(4-chlorophenoxy)-1-cycloheptylethanol
SMILESOC(COc1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C15H21ClO2/c16-13-7-9-14(10-8-13)18-11-15(17)12-5-3-1-2-4-6-12/h7-10,12,15,17H,1-6,11H2
InChIKeyOSFMAULLOSNPLG-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
CID 113449276
1-cyclohexyl-2-(2,6-difluorophenoxy)ethanol
CID 104753752
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-cycloheptylethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-cycloheptylethanol (CID 105122069) is 2-(4-chlorophenoxy)-1-cycloheptylethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-cycloheptylethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-cycloheptylethanol is OC(COc1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-cycloheptylethanol?
The InChIKey is OSFMAULLOSNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c16-13-7-9-14(10-8-13)18-11-15(17)12-5-3-1-2-4-6-12/h7-10,12,15,17H,1-6,11H2.
What are the key properties of 2-(4-chlorophenoxy)-1-cycloheptylethanol?
2-(4-chlorophenoxy)-1-cycloheptylethanol has a molecular weight of 268.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-cycloheptylethanol is sourced from PubChem (CID 105122069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).