2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde

C14H18O2 — CID 126676114

IUPAC2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
SMILESO=CCc1cccc(COC2CCCC2)c1
InChIInChI=1S/C14H18O2/c15-9-8-12-4-3-5-13(10-12)11-16-14-6-1-2-7-14/h3-5,9-10,14H,1-2,6-8,11H2
InChIKeyLADWLPUHAQJHHD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde

2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde (PubChem CID 126676114) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
PubChem CID126676114
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
SMILESO=CCc1cccc(COC2CCCC2)c1
InChIInChI=1S/C14H18O2/c15-9-8-12-4-3-5-13(10-12)11-16-14-6-1-2-7-14/h3-5,9-10,14H,1-2,6-8,11H2
InChIKeyLADWLPUHAQJHHD-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.89
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-(cyclopentyloxymethyl)-3-cyclopropylbenzene
CID 126674869
azane;cyclopentyloxymethylbenzene
CID 69411306
1-(cyclohexyloxymethyl)-3-nitrobenzene
CID 11264832
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
CID 56787557
[3-(cyclohexyloxymethyl)phenyl]boronic acid
CID 53211400
1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
CID 153464042
2-(cyclohexyloxymethyl)naphthalene
CID 10705229
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
CID 168532047
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde (CID 126676114) is 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde is O=CCc1cccc(COC2CCCC2)c1.
What is the InChIKey of 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde?
The InChIKey is LADWLPUHAQJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-9-8-12-4-3-5-13(10-12)11-16-14-6-1-2-7-14/h3-5,9-10,14H,1-2,6-8,11H2.
What are the key properties of 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde?
2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde is sourced from PubChem (CID 126676114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).