1,2-dichloro-3-(2-phenylethyl)benzene

C14H12Cl2 — CID 139886984

IUPAC1,2-dichloro-3-(2-phenylethyl)benzene
SMILESClc1cccc(CCc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyWVQKYTCYXRYVQE-UHFFFAOYSA-N
MW251.16 g/mol
LogP4.78
Rot. Bonds3

About 1,2-dichloro-3-(2-phenylethyl)benzene

1,2-dichloro-3-(2-phenylethyl)benzene (PubChem CID 139886984) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1,2-dichloro-3-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2-phenylethyl)benzene
PubChem CID139886984
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1,2-dichloro-3-(2-phenylethyl)benzene
SMILESClc1cccc(CCc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyWVQKYTCYXRYVQE-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(2-phenylethyl)benzene
CID 21495838
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
benzene;2-phenylethylbenzene
CID 18982764
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
(2,3-dichlorophenyl)methylazanium
CID 6951258
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
CID 6380343
CID 6380343
hafnium;2-phenylethylbenzene
CID 173109801
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
2-(2-phenylethyl)phenol;hydrate
CID 157150935

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2-phenylethyl)benzene?
The IUPAC name of 1,2-dichloro-3-(2-phenylethyl)benzene (CID 139886984) is 1,2-dichloro-3-(2-phenylethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2-phenylethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(2-phenylethyl)benzene is Clc1cccc(CCc2ccccc2)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2-phenylethyl)benzene?
The InChIKey is WVQKYTCYXRYVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 1,2-dichloro-3-(2-phenylethyl)benzene?
1,2-dichloro-3-(2-phenylethyl)benzene has a molecular weight of 251.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2-phenylethyl)benzene is sourced from PubChem (CID 139886984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).