2-(1-phenylmethoxycyclohexyl)acetaldehyde

C15H20O2 — CID 115039002

IUPAC2-(1-phenylmethoxycyclohexyl)acetaldehyde
SMILESO=CCC1(OCc2ccccc2)CCCCC1
InChIInChI=1S/C15H20O2/c16-12-11-15(9-5-2-6-10-15)17-13-14-7-3-1-4-8-14/h1,3-4,7-8,12H,2,5-6,9-11,13H2
InChIKeyLTLSDEQABGOWBN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.50
Rot. Bonds5

About 2-(1-phenylmethoxycyclohexyl)acetaldehyde

2-(1-phenylmethoxycyclohexyl)acetaldehyde (PubChem CID 115039002) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(1-phenylmethoxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-phenylmethoxycyclohexyl)acetaldehyde
PubChem CID115039002
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(1-phenylmethoxycyclohexyl)acetaldehyde
SMILESO=CCC1(OCc2ccccc2)CCCCC1
InChIInChI=1S/C15H20O2/c16-12-11-15(9-5-2-6-10-15)17-13-14-7-3-1-4-8-14/h1,3-4,7-8,12H,2,5-6,9-11,13H2
InChIKeyLTLSDEQABGOWBN-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.50
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-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
CID 115050877
(3-phenylmethoxypiperidin-3-yl)methanesulfinate
CID 115050188
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde
CID 88863431
1-(bromomethyl)-1-[(4-chlorophenyl)methoxy]cycloheptane
CID 65124429
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-phenylmethoxycyclohexyl)acetaldehyde (CID 115039002) is 2-(1-phenylmethoxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-phenylmethoxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-phenylmethoxycyclohexyl)acetaldehyde is O=CCC1(OCc2ccccc2)CCCCC1.
What is the InChIKey of 2-(1-phenylmethoxycyclohexyl)acetaldehyde?
The InChIKey is LTLSDEQABGOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-12-11-15(9-5-2-6-10-15)17-13-14-7-3-1-4-8-14/h1,3-4,7-8,12H,2,5-6,9-11,13H2.
What are the key properties of 2-(1-phenylmethoxycyclohexyl)acetaldehyde?
2-(1-phenylmethoxycyclohexyl)acetaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycyclohexyl)acetaldehyde is sourced from PubChem (CID 115039002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).