3-(cycloheptylmethoxy)benzaldehyde

C15H20O2 — CID 86637613

IUPAC3-(cycloheptylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C15H20O2/c16-11-14-8-5-9-15(10-14)17-12-13-6-3-1-2-4-7-13/h5,8-11,13H,1-4,6-7,12H2
InChIKeyLKTSDROHHTXNAG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.85
Rot. Bonds4

About 3-(cycloheptylmethoxy)benzaldehyde

3-(cycloheptylmethoxy)benzaldehyde (PubChem CID 86637613) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)benzaldehyde
PubChem CID86637613
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(cycloheptylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C15H20O2/c16-11-14-8-5-9-15(10-14)17-12-13-6-3-1-2-4-7-13/h5,8-11,13H,1-4,6-7,12H2
InChIKeyLKTSDROHHTXNAG-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.85
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

3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
(E)-3-[3-(cyclohexylmethoxy)phenyl]-2-methylprop-2-enenitrile
CID 172583892
ethyl (E)-3-[3-(cyclohexylmethoxy)phenyl]prop-2-enoate
CID 58027574
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
cyclohexylmethoxybenzene
CID 14399287
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)benzaldehyde?
The IUPAC name of 3-(cycloheptylmethoxy)benzaldehyde (CID 86637613) is 3-(cycloheptylmethoxy)benzaldehyde.
What is the SMILES notation for 3-(cycloheptylmethoxy)benzaldehyde?
The canonical SMILES for 3-(cycloheptylmethoxy)benzaldehyde is O=Cc1cccc(OCC2CCCCCC2)c1.
What is the InChIKey of 3-(cycloheptylmethoxy)benzaldehyde?
The InChIKey is LKTSDROHHTXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-11-14-8-5-9-15(10-14)17-12-13-6-3-1-2-4-7-13/h5,8-11,13H,1-4,6-7,12H2.
What are the key properties of 3-(cycloheptylmethoxy)benzaldehyde?
3-(cycloheptylmethoxy)benzaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)benzaldehyde is sourced from PubChem (CID 86637613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).