1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

C14H16ClFO2 — CID 103556008

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cc(C)c(F)cc2Cl)CCC1
InChIInChI=1S/C14H16ClFO2/c1-9-6-10(11(15)7-12(9)16)13(17)8-14(18-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3
InChIKeyVPSMNOXLSQMZDW-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103556008) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103556008
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cc(C)c(F)cc2Cl)CCC1
InChIInChI=1S/C14H16ClFO2/c1-9-6-10(11(15)7-12(9)16)13(17)8-14(18-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3
InChIKeyVPSMNOXLSQMZDW-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
CID 81045264
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 81045571
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)-4-oxobutanoate
CID 116919205
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone (CID 103556008) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2cc(C)c(F)cc2Cl)CCC1.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is VPSMNOXLSQMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c1-9-6-10(11(15)7-12(9)16)13(17)8-14(18-2)4-3-5-14/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 270.73 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103556008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).