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

C30H26Cl2O3 — CID 14791400

IUPAC1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
SMILESCOc1ccc(C2C(Cl)(Cl)C2(c2ccc(OC)cc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H26Cl2O3/c1-33-25-14-8-22(9-15-25)28-29(30(28,31)32,23-10-16-26(34-2)17-11-23)24-12-18-27(19-13-24)35-20-21-6-4-3-5-7-21/h3-19,28H,20H2,1-2H3
InChIKeyNOZGTIPFLLKLDR-UHFFFAOYSA-N
MW505.44 g/mol
LogP7.54
Rot. Bonds8

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

1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene (PubChem CID 14791400) has the molecular formula C30H26Cl2O3 and a molecular weight of 505.44 g/mol. Its IUPAC name is 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
PubChem CID14791400
Molecular FormulaC30H26Cl2O3
Molecular Weight505.44 g/mol
Exact Mass504.13
IUPAC Name1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
SMILESCOc1ccc(C2C(Cl)(Cl)C2(c2ccc(OC)cc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H26Cl2O3/c1-33-25-14-8-22(9-15-25)28-29(30(28,31)32,23-10-16-26(34-2)17-11-23)24-12-18-27(19-13-24)35-20-21-6-4-3-5-7-21/h3-19,28H,20H2,1-2H3
InChIKeyNOZGTIPFLLKLDR-UHFFFAOYSA-N
XLogP7.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.44
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene (CID 14791400) is 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene is COc1ccc(C2C(Cl)(Cl)C2(c2ccc(OC)cc2)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene?
The InChIKey is NOZGTIPFLLKLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2O3/c1-33-25-14-8-22(9-15-25)28-29(30(28,31)32,23-10-16-26(34-2)17-11-23)24-12-18-27(19-13-24)35-20-21-6-4-3-5-7-21/h3-19,28H,20H2,1-2H3.
What are the key properties of 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene?
1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene has a molecular weight of 505.44 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 14791400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).