3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde

C18H18O3 — CID 118951250

IUPAC3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCOC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1
InChIInChI=1S/C18H18O3/c1-20-18(11-14(12-18)13-19)15-6-5-9-17(10-15)21-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3
InChIKeyITJQDPLAURCAQL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.93
Rot. Bonds5

About 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde

3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde (PubChem CID 118951250) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
PubChem CID118951250
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCOC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1
InChIInChI=1S/C18H18O3/c1-20-18(11-14(12-18)13-19)15-6-5-9-17(10-15)21-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3
InChIKeyITJQDPLAURCAQL-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.93
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

3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 145039199
ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 145039195
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
(3-phenoxyphenyl)methyl 2-formyl-1-methylcyclopropane-1-carboxylate
CID 140969500
1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
CID 129090086
3-(1-methoxycyclobutyl)benzoic acid
CID 67062832
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
CID 142258797
(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
CID 154446949
4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde
CID 143467914

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde (CID 118951250) is 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde is COC1(c2cccc(Oc3ccccc3)c2)CC(C=O)C1.
What is the InChIKey of 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
The InChIKey is ITJQDPLAURCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-18(11-14(12-18)13-19)15-6-5-9-17(10-15)21-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde?
3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 118951250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).