[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone

C14H16ClNO2 — CID 53008496

IUPAC[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO2/c15-12-5-1-10(2-6-12)9-18-13-7-16(8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyBXQKCNBYIPZJNH-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.48
Rot. Bonds4

About [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone

[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone (PubChem CID 53008496) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone
PubChem CID53008496
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO2/c15-12-5-1-10(2-6-12)9-18-13-7-16(8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2
InChIKeyBXQKCNBYIPZJNH-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone (CID 53008496) is [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC(OCc2ccc(Cl)cc2)C1.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone?
The InChIKey is BXQKCNBYIPZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-5-1-10(2-6-12)9-18-13-7-16(8-13)14(17)11-3-4-11/h1-2,5-6,11,13H,3-4,7-9H2.
What are the key properties of [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone?
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone has a molecular weight of 265.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 53008496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).