1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid

C19H20ClNO4 — CID 59451743

IUPAC1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-24-18-8-13(9-21-10-15(11-21)19(22)23)6-7-17(18)25-12-14-4-2-3-5-16(14)20/h2-8,15H,9-12H2,1H3,(H,22,23)
InChIKeySDDACSRCXKTQLR-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.44
Rot. Bonds7

About 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 59451743) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
PubChem CID59451743
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-24-18-8-13(9-21-10-15(11-21)19(22)23)6-7-17(18)25-12-14-4-2-3-5-16(14)20/h2-8,15H,9-12H2,1H3,(H,22,23)
InChIKeySDDACSRCXKTQLR-UHFFFAOYSA-N
XLogP3.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid (CID 59451743) is 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid is COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is SDDACSRCXKTQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-24-18-8-13(9-21-10-15(11-21)19(22)23)6-7-17(18)25-12-14-4-2-3-5-16(14)20/h2-8,15H,9-12H2,1H3,(H,22,23).
What are the key properties of 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 361.83 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).