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

C14H12Cl2O — CID 91220321

IUPAC1,2-dichloro-3-(2-phenoxyethyl)benzene
SMILESClc1cccc(CCOc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2O/c15-13-8-4-5-11(14(13)16)9-10-17-12-6-2-1-3-7-12/h1-8H,9-10H2
InChIKeyXIJRZACLPYXTSW-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.61
Rot. Bonds4

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

1,2-dichloro-3-(2-phenoxyethyl)benzene (PubChem CID 91220321) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1,2-dichloro-3-(2-phenoxyethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(2-phenoxyethyl)benzene
PubChem CID91220321
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1,2-dichloro-3-(2-phenoxyethyl)benzene
SMILESClc1cccc(CCOc2ccccc2)c1Cl
InChIInChI=1S/C14H12Cl2O/c15-13-8-4-5-11(14(13)16)9-10-17-12-6-2-1-3-7-12/h1-8H,9-10H2
InChIKeyXIJRZACLPYXTSW-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
1-(2,3-dichlorophenyl)-3-phenoxypropan-2-ol
CID 107308124
N,N-dimethyl-1-[2-(2-phenoxyethyl)phenyl]methanamine;hydrobromide
CID 173344142
3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
N-[(2-chlorophenyl)methyl]-4-(2-phenylethoxy)aniline
CID 54800221
3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
CID 88657813
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2-chloro-6-[(3-phenoxypropylamino)methyl]phenol
CID 115904573
2-(2-phenoxyethyl)benzamide
CID 68945309
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2-phenoxyethyl)benzene?
The IUPAC name of 1,2-dichloro-3-(2-phenoxyethyl)benzene (CID 91220321) is 1,2-dichloro-3-(2-phenoxyethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(2-phenoxyethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(2-phenoxyethyl)benzene is Clc1cccc(CCOc2ccccc2)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(2-phenoxyethyl)benzene?
The InChIKey is XIJRZACLPYXTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-13-8-4-5-11(14(13)16)9-10-17-12-6-2-1-3-7-12/h1-8H,9-10H2.
What are the key properties of 1,2-dichloro-3-(2-phenoxyethyl)benzene?
1,2-dichloro-3-(2-phenoxyethyl)benzene has a molecular weight of 267.16 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2-phenoxyethyl)benzene is sourced from PubChem (CID 91220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).