(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

C13H15ClO3 — CID 116921922

IUPAC(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(CO)CCC1
InChIInChI=1S/C13H15ClO3/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyGBUZFRDJTIKVCN-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.69
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone

(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (PubChem CID 116921922) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
PubChem CID116921922
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(CO)CCC1
InChIInChI=1S/C13H15ClO3/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyGBUZFRDJTIKVCN-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
CID 116921965
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
5-chloro-2-methoxybenzoate
CID 6933314
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone (CID 116921922) is (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is COc1ccc(Cl)cc1C(=O)C1(CO)CCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
The InChIKey is GBUZFRDJTIKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone?
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone has a molecular weight of 254.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 116921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).