2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene

C17H17ClF2O — CID 63427388

IUPAC2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)C(C)(C)c2ccccc2)c(F)c1
InChIInChI=1S/C17H17ClF2O/c1-17(2,11-7-5-4-6-8-11)16(18)15-13(19)9-12(21-3)10-14(15)20/h4-10,16H,1-3H3
InChIKeyQYBWOCQGLGSBNJ-UHFFFAOYSA-N
MW310.77 g/mol
LogP5.23
Rot. Bonds4

About 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene

2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene (PubChem CID 63427388) has the molecular formula C17H17ClF2O and a molecular weight of 310.77 g/mol. Its IUPAC name is 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
PubChem CID63427388
Molecular FormulaC17H17ClF2O
Molecular Weight310.77 g/mol
Exact Mass310.09
IUPAC Name2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)C(C)(C)c2ccccc2)c(F)c1
InChIInChI=1S/C17H17ClF2O/c1-17(2,11-7-5-4-6-8-11)16(18)15-13(19)9-12(21-3)10-14(15)20/h4-10,16H,1-3H3
InChIKeyQYBWOCQGLGSBNJ-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.77
LogP ≤ 55.23
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-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 61082122
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103303605
1-bromo-5-(1-chloro-2-methyl-2-phenylpropyl)-2-fluoro-4-methoxybenzene
CID 103396341
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
CID 63433916
1-bromo-2-chloro-4-(1-chloro-2-methyl-2-phenylpropyl)-5-fluorobenzene
CID 105399802
2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
CID 79743215
1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799527
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
2-(1-chloro-3,5,5-trimethylhexyl)-1,3-difluoro-5-methoxybenzene
CID 63427553

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene (CID 63427388) is 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(C(Cl)C(C)(C)c2ccccc2)c(F)c1.
What is the InChIKey of 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene?
The InChIKey is QYBWOCQGLGSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O/c1-17(2,11-7-5-4-6-8-11)16(18)15-13(19)9-12(21-3)10-14(15)20/h4-10,16H,1-3H3.
What are the key properties of 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene?
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene has a molecular weight of 310.77 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 63427388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).