1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene

C20H16Cl2O — CID 151834044

IUPAC1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
SMILESClC(Cl)C(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16Cl2O/c21-20(22)19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h1-14,19-20H
InChIKeySFGXCSYYRCFBTI-UHFFFAOYSA-N
MW343.25 g/mol
LogP6.41
Rot. Bonds5

About 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene

1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene (PubChem CID 151834044) has the molecular formula C20H16Cl2O and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
PubChem CID151834044
Molecular FormulaC20H16Cl2O
Molecular Weight343.25 g/mol
Exact Mass342.06
IUPAC Name1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
SMILESClC(Cl)C(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16Cl2O/c21-20(22)19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h1-14,19-20H
InChIKeySFGXCSYYRCFBTI-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 56.41
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-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
potassium;hydride;phenoxybenzene
CID 173391576
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene?
The IUPAC name of 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene (CID 151834044) is 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene.
What is the SMILES notation for 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene?
The canonical SMILES for 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene is ClC(Cl)C(c1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene?
The InChIKey is SFGXCSYYRCFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O/c21-20(22)19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h1-14,19-20H.
What are the key properties of 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene?
1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene has a molecular weight of 343.25 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene is sourced from PubChem (CID 151834044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).