1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene

C16H15ClF2O — CID 61085120

IUPAC1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
SMILESCOCCc1ccc(C(Cl)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-7-6-11-2-4-12(5-3-11)16(17)13-8-14(18)10-15(19)9-13/h2-5,8-10,16H,6-7H2,1H3
InChIKeyFWCHMAPSIOKUGS-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.48
Rot. Bonds5

About 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene

1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene (PubChem CID 61085120) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
PubChem CID61085120
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
SMILESCOCCc1ccc(C(Cl)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-7-6-11-2-4-12(5-3-11)16(17)13-8-14(18)10-15(19)9-13/h2-5,8-10,16H,6-7H2,1H3
InChIKeyFWCHMAPSIOKUGS-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.48
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

4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
CID 63429785
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
CID 61083920
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 62504750
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099907

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene?
The IUPAC name of 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene (CID 61085120) is 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene is COCCc1ccc(C(Cl)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene?
The InChIKey is FWCHMAPSIOKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-20-7-6-11-2-4-12(5-3-11)16(17)13-8-14(18)10-15(19)9-13/h2-5,8-10,16H,6-7H2,1H3.
What are the key properties of 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene?
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene has a molecular weight of 296.74 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene is sourced from PubChem (CID 61085120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).