1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene

C16H16ClFO — CID 177012995

IUPAC1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene
SMILESCCc1ccc(-c2c(Cl)ccc(OC)c2F)cc1C
InChIInChI=1S/C16H16ClFO/c1-4-11-5-6-12(9-10(11)2)15-13(17)7-8-14(19-3)16(15)18/h5-9H,4H2,1-3H3
InChIKeyYWWNHOGHIHEDIP-UHFFFAOYSA-N
MW278.75 g/mol
LogP5.03
Rot. Bonds3

About 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene

1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene (PubChem CID 177012995) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene
PubChem CID177012995
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene
SMILESCCc1ccc(-c2c(Cl)ccc(OC)c2F)cc1C
InChIInChI=1S/C16H16ClFO/c1-4-11-5-6-12(9-10(11)2)15-13(17)7-8-14(19-3)16(15)18/h5-9H,4H2,1-3H3
InChIKeyYWWNHOGHIHEDIP-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.75
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene 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

1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 102261730
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene?
The IUPAC name of 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene (CID 177012995) is 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene?
The canonical SMILES for 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene is CCc1ccc(-c2c(Cl)ccc(OC)c2F)cc1C.
What is the InChIKey of 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene?
The InChIKey is YWWNHOGHIHEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-4-11-5-6-12(9-10(11)2)15-13(17)7-8-14(19-3)16(15)18/h5-9H,4H2,1-3H3.
What are the key properties of 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene?
1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene has a molecular weight of 278.75 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-ethyl-3-methylphenyl)-3-fluoro-4-methoxybenzene is sourced from PubChem (CID 177012995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).