1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde

C14H18O2 — CID 82127349

IUPAC1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCC2)cc1C
InChIInChI=1S/C14H18O2/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySOFXAQNHGWMEPM-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde

1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde (PubChem CID 82127349) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
PubChem CID82127349
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCC2)cc1C
InChIInChI=1S/C14H18O2/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySOFXAQNHGWMEPM-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.01
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-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
4-(1-isocyanatocyclohexyl)-1-methoxy-2-methylbenzene
CID 82085805
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbaldehyde
CID 10495633
4-[1-(isocyanatomethyl)cyclohexyl]-1-methoxy-2-methylbenzene
CID 82089891
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
CID 167577887

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde (CID 82127349) is 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde is COc1ccc(C2(C=O)CCCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde?
The InChIKey is SOFXAQNHGWMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-9-12(5-6-13(11)16-2)14(10-15)7-3-4-8-14/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde?
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 82127349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).