6,7-dichloro-3,4-diphenylnaphthalen-2-ol

C22H14Cl2O — CID 170563518

IUPAC6,7-dichloro-3,4-diphenylnaphthalen-2-ol
SMILESOc1cc2cc(Cl)c(Cl)cc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H14Cl2O/c23-18-11-16-12-20(25)22(15-9-5-2-6-10-15)21(17(16)13-19(18)24)14-7-3-1-4-8-14/h1-13,25H
InChIKeyKXJQHKXBODDYJQ-UHFFFAOYSA-N
MW365.26 g/mol
LogP7.19
Rot. Bonds2

About 6,7-dichloro-3,4-diphenylnaphthalen-2-ol

6,7-dichloro-3,4-diphenylnaphthalen-2-ol (PubChem CID 170563518) has the molecular formula C22H14Cl2O and a molecular weight of 365.26 g/mol. Its IUPAC name is 6,7-dichloro-3,4-diphenylnaphthalen-2-ol.

Molecular Properties

Compound Name6,7-dichloro-3,4-diphenylnaphthalen-2-ol
PubChem CID170563518
Molecular FormulaC22H14Cl2O
Molecular Weight365.26 g/mol
Exact Mass364.04
IUPAC Name6,7-dichloro-3,4-diphenylnaphthalen-2-ol
SMILESOc1cc2cc(Cl)c(Cl)cc2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H14Cl2O/c23-18-11-16-12-20(25)22(15-9-5-2-6-10-15)21(17(16)13-19(18)24)14-7-3-1-4-8-14/h1-13,25H
InChIKeyKXJQHKXBODDYJQ-UHFFFAOYSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,4-diphenylnaphthalen-2-ol?
The IUPAC name of 6,7-dichloro-3,4-diphenylnaphthalen-2-ol (CID 170563518) is 6,7-dichloro-3,4-diphenylnaphthalen-2-ol.
What is the SMILES notation for 6,7-dichloro-3,4-diphenylnaphthalen-2-ol?
The canonical SMILES for 6,7-dichloro-3,4-diphenylnaphthalen-2-ol is Oc1cc2cc(Cl)c(Cl)cc2c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 6,7-dichloro-3,4-diphenylnaphthalen-2-ol?
The InChIKey is KXJQHKXBODDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O/c23-18-11-16-12-20(25)22(15-9-5-2-6-10-15)21(17(16)13-19(18)24)14-7-3-1-4-8-14/h1-13,25H.
What are the key properties of 6,7-dichloro-3,4-diphenylnaphthalen-2-ol?
6,7-dichloro-3,4-diphenylnaphthalen-2-ol has a molecular weight of 365.26 g/mol, XLogP of 7.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,4-diphenylnaphthalen-2-ol is sourced from PubChem (CID 170563518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).