(3-ethylphenoxy)cyclooctane

C16H24O — CID 91220327

IUPAC(3-ethylphenoxy)cyclooctane
SMILESCCc1cccc(OC2CCCCCCC2)c1
InChIInChI=1S/C16H24O/c1-2-14-9-8-12-16(13-14)17-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyBGFXMBSOODMSMM-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.74
Rot. Bonds3

About (3-ethylphenoxy)cyclooctane

(3-ethylphenoxy)cyclooctane (PubChem CID 91220327) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3-ethylphenoxy)cyclooctane.

Molecular Properties

Compound Name(3-ethylphenoxy)cyclooctane
PubChem CID91220327
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3-ethylphenoxy)cyclooctane
SMILESCCc1cccc(OC2CCCCCCC2)c1
InChIInChI=1S/C16H24O/c1-2-14-9-8-12-16(13-14)17-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyBGFXMBSOODMSMM-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
2-(3-ethylphenoxy)piperidine
CID 91241218
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
1-(3-bromocyclobutyl)oxy-3-ethylbenzene
CID 66345315
3-(3-ethylphenoxy)cyclopentan-1-ol
CID 79632352
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(3-methylphenoxy)cyclononane
CID 145391482

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenoxy)cyclooctane?
The IUPAC name of (3-ethylphenoxy)cyclooctane (CID 91220327) is (3-ethylphenoxy)cyclooctane.
What is the SMILES notation for (3-ethylphenoxy)cyclooctane?
The canonical SMILES for (3-ethylphenoxy)cyclooctane is CCc1cccc(OC2CCCCCCC2)c1.
What is the InChIKey of (3-ethylphenoxy)cyclooctane?
The InChIKey is BGFXMBSOODMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-14-9-8-12-16(13-14)17-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11H2,1H3.
What are the key properties of (3-ethylphenoxy)cyclooctane?
(3-ethylphenoxy)cyclooctane has a molecular weight of 232.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenoxy)cyclooctane is sourced from PubChem (CID 91220327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).