1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene

C17H19ClO — CID 61085744

IUPAC1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C17H19ClO/c1-19-12-11-14-7-9-16(10-8-14)17(18)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyZKGGOHBEUPJDNJ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.40
Rot. Bonds6

About 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene

1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene (PubChem CID 61085744) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
PubChem CID61085744
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
SMILESCOCCc1ccc(C(Cl)Cc2ccccc2)cc1
InChIInChI=1S/C17H19ClO/c1-19-12-11-14-7-9-16(10-8-14)17(18)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyZKGGOHBEUPJDNJ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.40
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

1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
2-methoxyethylbenzene
CID 19089
1-(1-chloro-2-phenylethyl)-4-phenylbenzene
CID 21425464
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
4-(1-chloro-2-phenylethyl)phenol;sulfane
CID 67803217
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
CID 61083920
1-[4-(2-methoxyethyl)phenyl]-2-phenylbutan-1-ol
CID 61099739
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene (CID 61085744) is 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene is COCCc1ccc(C(Cl)Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene?
The InChIKey is ZKGGOHBEUPJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-19-12-11-14-7-9-16(10-8-14)17(18)13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene?
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene has a molecular weight of 274.79 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 61085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).