1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene

C29H24Cl2O2 — CID 10254343

IUPAC1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene
SMILESCOc1ccc(C2(c3ccc(OCc4ccccc4)cc3)C(c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C29H24Cl2O2/c1-32-25-16-12-23(13-17-25)28(27(29(28,30)31)22-10-6-3-7-11-22)24-14-18-26(19-15-24)33-20-21-8-4-2-5-9-21/h2-19,27H,20H2,1H3
InChIKeyDQHGXAXZEFSZII-UHFFFAOYSA-N
MW475.42 g/mol
LogP7.53
Rot. Bonds7

About 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene

1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene (PubChem CID 10254343) has the molecular formula C29H24Cl2O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene
PubChem CID10254343
Molecular FormulaC29H24Cl2O2
Molecular Weight475.42 g/mol
Exact Mass474.12
IUPAC Name1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene
SMILESCOc1ccc(C2(c3ccc(OCc4ccccc4)cc3)C(c3ccccc3)C2(Cl)Cl)cc1
InChIInChI=1S/C29H24Cl2O2/c1-32-25-16-12-23(13-17-25)28(27(29(28,30)31)22-10-6-3-7-11-22)24-14-18-26(19-15-24)33-20-21-8-4-2-5-9-21/h2-19,27H,20H2,1H3
InChIKeyDQHGXAXZEFSZII-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene (CID 10254343) is 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene is COc1ccc(C2(c3ccc(OCc4ccccc4)cc3)C(c3ccccc3)C2(Cl)Cl)cc1.
What is the InChIKey of 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene?
The InChIKey is DQHGXAXZEFSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2O2/c1-32-25-16-12-23(13-17-25)28(27(29(28,30)31)22-10-6-3-7-11-22)24-14-18-26(19-15-24)33-20-21-8-4-2-5-9-21/h2-19,27H,20H2,1H3.
What are the key properties of 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene?
1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene has a molecular weight of 475.42 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloro-1-(4-methoxyphenyl)-3-phenylcyclopropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 10254343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).