2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene

C16H15Cl2FO — CID 82879816

IUPAC2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
SMILESCCOc1ccc(C)cc1C(Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-3-20-15-7-4-10(2)8-12(15)16(18)11-5-6-14(19)13(17)9-11/h4-9,16H,3H2,1-2H3
InChIKeyCPEICSUHDCEHPB-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.51
Rot. Bonds4

About 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene

2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene (PubChem CID 82879816) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
PubChem CID82879816
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
SMILESCCOc1ccc(C)cc1C(Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-3-20-15-7-4-10(2)8-12(15)16(18)11-5-6-14(19)13(17)9-11/h4-9,16H,3H2,1-2H3
InChIKeyCPEICSUHDCEHPB-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799142
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63444363
1-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 63443873
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
4-bromo-2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 81289227
1-bromo-4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434564
1-chloro-2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-3-fluorobenzene
CID 63447690
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 79206729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene (CID 82879816) is 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene is CCOc1ccc(C)cc1C(Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene?
The InChIKey is CPEICSUHDCEHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-3-20-15-7-4-10(2)8-12(15)16(18)11-5-6-14(19)13(17)9-11/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene?
2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene has a molecular weight of 313.20 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 82879816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).