1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene

C16H16ClFO2 — CID 62511020

IUPAC1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2F)c(OC)c1
InChIInChI=1S/C16H16ClFO2/c1-10-4-7-14(18)13(8-10)16(17)12-6-5-11(19-2)9-15(12)20-3/h4-9,16H,1-3H3
InChIKeyBLPJKYAQOGADMR-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.48
Rot. Bonds4

About 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene

1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 62511020) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
PubChem CID62511020
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2cc(C)ccc2F)c(OC)c1
InChIInChI=1S/C16H16ClFO2/c1-10-4-7-14(18)13(8-10)16(17)12-6-5-11(19-2)9-15(12)20-3/h4-9,16H,1-3H3
InChIKeyBLPJKYAQOGADMR-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxybenzene
CID 55198729
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 55197963
1-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-difluorobenzene
CID 113296141
1-chloro-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81051129

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene (CID 62511020) is 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(C(Cl)c2cc(C)ccc2F)c(OC)c1.
What is the InChIKey of 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is BLPJKYAQOGADMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-4-7-14(18)13(8-10)16(17)12-6-5-11(19-2)9-15(12)20-3/h4-9,16H,1-3H3.
What are the key properties of 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene?
1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 294.75 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 62511020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).