1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde

C16H22O2 — CID 10586534

IUPAC1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
SMILESCOc1cccc(CCC2(C=O)CCCCC2)c1
InChIInChI=1S/C16H22O2/c1-18-15-7-5-6-14(12-15)8-11-16(13-17)9-3-2-4-10-16/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyZZCUXYBWFQIZIH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde

1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde (PubChem CID 10586534) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
PubChem CID10586534
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
SMILESCOc1cccc(CCC2(C=O)CCCCC2)c1
InChIInChI=1S/C16H22O2/c1-18-15-7-5-6-14(12-15)8-11-16(13-17)9-3-2-4-10-16/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyZZCUXYBWFQIZIH-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
N-[1-[2-(3-methoxyphenyl)ethyl]cyclohexyl]acetamide
CID 70592832
2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
CID 58065884
4-(3-methoxyphenyl)butanal
CID 10821200
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde (CID 10586534) is 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde is COc1cccc(CCC2(C=O)CCCCC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde?
The InChIKey is ZZCUXYBWFQIZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-15-7-5-6-14(12-15)8-11-16(13-17)9-3-2-4-10-16/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde?
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde has a molecular weight of 246.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10586534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).