[4-(1-methoxyethyl)phenyl]cycloheptane

C16H24O — CID 143858990

IUPAC[4-(1-methoxyethyl)phenyl]cycloheptane
SMILESCOC(C)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H24O/c1-13(17-2)14-9-11-16(12-10-14)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3
InChIKeyXWKOKZDOBAVBLH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.83
Rot. Bonds3

About [4-(1-methoxyethyl)phenyl]cycloheptane

[4-(1-methoxyethyl)phenyl]cycloheptane (PubChem CID 143858990) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [4-(1-methoxyethyl)phenyl]cycloheptane.

Molecular Properties

Compound Name[4-(1-methoxyethyl)phenyl]cycloheptane
PubChem CID143858990
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[4-(1-methoxyethyl)phenyl]cycloheptane
SMILESCOC(C)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H24O/c1-13(17-2)14-9-11-16(12-10-14)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3
InChIKeyXWKOKZDOBAVBLH-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1-methoxyethyl)phenyl]piperidine
CID 117313118
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-[(4-cyclononylphenyl)-methoxymethyl]-4-methylpiperidine
CID 155274208
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
(4-cyclohexylphenyl)-(dimethylamino)methanethiol
CID 116909382
(2R,3S)-2-(4-cyclohexylphenyl)-3-hydroxybutanoic acid
CID 13153059
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998

Frequently Asked Questions

What is the IUPAC name of [4-(1-methoxyethyl)phenyl]cycloheptane?
The IUPAC name of [4-(1-methoxyethyl)phenyl]cycloheptane (CID 143858990) is [4-(1-methoxyethyl)phenyl]cycloheptane.
What is the SMILES notation for [4-(1-methoxyethyl)phenyl]cycloheptane?
The canonical SMILES for [4-(1-methoxyethyl)phenyl]cycloheptane is COC(C)c1ccc(C2CCCCCC2)cc1.
What is the InChIKey of [4-(1-methoxyethyl)phenyl]cycloheptane?
The InChIKey is XWKOKZDOBAVBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13(17-2)14-9-11-16(12-10-14)15-7-5-3-4-6-8-15/h9-13,15H,3-8H2,1-2H3.
What are the key properties of [4-(1-methoxyethyl)phenyl]cycloheptane?
[4-(1-methoxyethyl)phenyl]cycloheptane has a molecular weight of 232.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methoxyethyl)phenyl]cycloheptane is sourced from PubChem (CID 143858990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).