3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine

C18H19NO2 — CID 150029849

IUPAC3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine
SMILESCOc1ccc(C(=C2CNC2)c2ccccc2)cc1OC
InChIInChI=1S/C18H19NO2/c1-20-16-9-8-14(10-17(16)21-2)18(15-11-19-12-15)13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3
InChIKeyDHACTPURXTYVNG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds4

About 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine

3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine (PubChem CID 150029849) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine
PubChem CID150029849
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine
SMILESCOc1ccc(C(=C2CNC2)c2ccccc2)cc1OC
InChIInChI=1S/C18H19NO2/c1-20-16-9-8-14(10-17(16)21-2)18(15-11-19-12-15)13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3
InChIKeyDHACTPURXTYVNG-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)-phenylmethylidene]azetidine
CID 151096541
4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-phenylmethylidene]piperidine
CID 152605526
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
6,13-bis[bis(3,4-dimethoxyphenyl)methylidene]pentacene
CID 156694270
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
2-(4-acetyl-2-methoxyphenoxy)-1-(4-benzhydrylidenepiperidin-1-yl)propan-1-one
CID 143596057
[[amino(phenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 2213299
methyl 4-[1-(4-benzhydrylidenepiperidin-1-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 23652990
[amino-(3,4-dimethoxyphenyl)methylidene]-benzoyloxyazanium
CID 4086386

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine (CID 150029849) is 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine is COc1ccc(C(=C2CNC2)c2ccccc2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine?
The InChIKey is DHACTPURXTYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-16-9-8-14(10-17(16)21-2)18(15-11-19-12-15)13-6-4-3-5-7-13/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine?
3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine has a molecular weight of 281.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)-phenylmethylidene]azetidine is sourced from PubChem (CID 150029849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).