1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde

C14H18O2 — CID 23587235

IUPAC1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCCC2)cc1
InChIInChI=1S/C14H18O2/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8,11H,2-4,9-10H2,1H3
InChIKeyZTNQFCXKIXMBLZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde

1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde (PubChem CID 23587235) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
PubChem CID23587235
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCCC2)cc1
InChIInChI=1S/C14H18O2/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8,11H,2-4,9-10H2,1H3
InChIKeyZTNQFCXKIXMBLZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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

ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
1-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 82133968
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
trans-(1R,2S)-2-fluoro-1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 101376802
[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
CID 58669309
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde (CID 23587235) is 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde is COc1ccc(C2(C=O)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde?
The InChIKey is ZTNQFCXKIXMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde?
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 23587235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).