(4-ethylphenoxy)methylcycloheptane

C16H24O — CID 142027305

IUPAC(4-ethylphenoxy)methylcycloheptane
SMILESCCc1ccc(OCC2CCCCCC2)cc1
InChIInChI=1S/C16H24O/c1-2-14-9-11-16(12-10-14)17-13-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyQBCMKRHSFNJEQS-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.60
Rot. Bonds4

About (4-ethylphenoxy)methylcycloheptane

(4-ethylphenoxy)methylcycloheptane (PubChem CID 142027305) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (4-ethylphenoxy)methylcycloheptane.

Molecular Properties

Compound Name(4-ethylphenoxy)methylcycloheptane
PubChem CID142027305
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(4-ethylphenoxy)methylcycloheptane
SMILESCCc1ccc(OCC2CCCCCC2)cc1
InChIInChI=1S/C16H24O/c1-2-14-9-11-16(12-10-14)17-13-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyQBCMKRHSFNJEQS-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
cyclohexylmethoxybenzene
CID 14399287
1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
CID 59982551
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
1-(2-bromoethyl)-4-(cyclobutylmethoxy)benzene
CID 121494002

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenoxy)methylcycloheptane?
The IUPAC name of (4-ethylphenoxy)methylcycloheptane (CID 142027305) is (4-ethylphenoxy)methylcycloheptane.
What is the SMILES notation for (4-ethylphenoxy)methylcycloheptane?
The canonical SMILES for (4-ethylphenoxy)methylcycloheptane is CCc1ccc(OCC2CCCCCC2)cc1.
What is the InChIKey of (4-ethylphenoxy)methylcycloheptane?
The InChIKey is QBCMKRHSFNJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-2-14-9-11-16(12-10-14)17-13-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3.
What are the key properties of (4-ethylphenoxy)methylcycloheptane?
(4-ethylphenoxy)methylcycloheptane has a molecular weight of 232.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenoxy)methylcycloheptane is sourced from PubChem (CID 142027305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).