2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol

C17H12Cl2O — CID 15617861

IUPAC2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H12Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-8,10,20H,9H2
InChIKeyBUMNBIOTNUDKBB-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.44
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol

2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol (PubChem CID 15617861) has the molecular formula C17H12Cl2O and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol
PubChem CID15617861
Molecular FormulaC17H12Cl2O
Molecular Weight303.19 g/mol
Exact Mass302.03
IUPAC Name2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C17H12Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-8,10,20H,9H2
InChIKeyBUMNBIOTNUDKBB-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol (CID 15617861) is 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol is Oc1c(Cc2ccc(Cl)c(Cl)c2)ccc2ccccc12.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol?
The InChIKey is BUMNBIOTNUDKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-8,10,20H,9H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol?
2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol has a molecular weight of 303.19 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).