1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene

C23H16ClNO2 — CID 162733430

IUPAC1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene
SMILESCOc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1N=O
InChIInChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3
InChIKeySRRKPMQMRGQXSJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP7.23
Rot. Bonds4

About 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene

1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene (PubChem CID 162733430) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene.

Molecular Properties

Compound Name1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene
PubChem CID162733430
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene
SMILESCOc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1N=O
InChIInChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3
InChIKeySRRKPMQMRGQXSJ-UHFFFAOYSA-N
XLogP7.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene?
The IUPAC name of 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene (CID 162733430) is 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene.
What is the SMILES notation for 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene?
The canonical SMILES for 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene is COc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1N=O.
What is the InChIKey of 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene?
The InChIKey is SRRKPMQMRGQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3.
What are the key properties of 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene?
1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene has a molecular weight of 373.84 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-3-methoxy-2-nitrosophenyl)phenyl]naphthalene is sourced from PubChem (CID 162733430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).