1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one

C14H17ClO2 — CID 117384831

IUPAC1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H17ClO2/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyGKFGDIPPMDTRIA-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one (PubChem CID 117384831) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
PubChem CID117384831
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H17ClO2/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyGKFGDIPPMDTRIA-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
methyl (2S)-3-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171746547
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one?
The IUPAC name of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one (CID 117384831) is 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one is CC(=O)Cc1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one?
The InChIKey is GKFGDIPPMDTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10(16)7-12-8-13(15)5-6-14(12)17-9-11-3-2-4-11/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one?
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one has a molecular weight of 252.74 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one is sourced from PubChem (CID 117384831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).