3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde

C13H16O3 — CID 118050407

IUPAC3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
SMILESCOc1ccc(COC2CC(C=O)C2)cc1
InChIInChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)9-16-13-6-11(7-13)8-14/h2-5,8,11,13H,6-7,9H2,1H3
InChIKeyCGUCXXMKFGQAJU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.19
Rot. Bonds5

About 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde

3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde (PubChem CID 118050407) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
PubChem CID118050407
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
SMILESCOc1ccc(COC2CC(C=O)C2)cc1
InChIInChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)9-16-13-6-11(7-13)8-14/h2-5,8,11,13H,6-7,9H2,1H3
InChIKeyCGUCXXMKFGQAJU-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S,4R,6S)-4-[(4-methoxyphenyl)methoxy]-6-phenyloxane-2-carbaldehyde
CID 44517861
(1S,2R,3S,4S,5R)-2,3-bis[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)cyclopentane-1-carbaldehyde
CID 10579163
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol
CID 88753284
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
(1R,2R,4R)-4-[(4-methoxyphenyl)methoxy]-2-N,2-N-bis(prop-2-enyl)cyclopentane-1,2-diamine
CID 125479268
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde (CID 118050407) is 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde is COc1ccc(COC2CC(C=O)C2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde?
The InChIKey is CGUCXXMKFGQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)9-16-13-6-11(7-13)8-14/h2-5,8,11,13H,6-7,9H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde?
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 118050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).