2-benzyl-5,8-dimethylnaphthalen-1-ol

C19H18O — CID 15617883

IUPAC2-benzyl-5,8-dimethylnaphthalen-1-ol
SMILESCc1ccc(C)c2c(O)c(Cc3ccccc3)ccc12
InChIInChI=1S/C19H18O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyMYMDEADWTCWLJG-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.75
Rot. Bonds2

About 2-benzyl-5,8-dimethylnaphthalen-1-ol

2-benzyl-5,8-dimethylnaphthalen-1-ol (PubChem CID 15617883) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-benzyl-5,8-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name2-benzyl-5,8-dimethylnaphthalen-1-ol
PubChem CID15617883
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-benzyl-5,8-dimethylnaphthalen-1-ol
SMILESCc1ccc(C)c2c(O)c(Cc3ccccc3)ccc12
InChIInChI=1S/C19H18O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyMYMDEADWTCWLJG-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,8-dimethylnaphthalen-1-ol?
The IUPAC name of 2-benzyl-5,8-dimethylnaphthalen-1-ol (CID 15617883) is 2-benzyl-5,8-dimethylnaphthalen-1-ol.
What is the SMILES notation for 2-benzyl-5,8-dimethylnaphthalen-1-ol?
The canonical SMILES for 2-benzyl-5,8-dimethylnaphthalen-1-ol is Cc1ccc(C)c2c(O)c(Cc3ccccc3)ccc12.
What is the InChIKey of 2-benzyl-5,8-dimethylnaphthalen-1-ol?
The InChIKey is MYMDEADWTCWLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 2-benzyl-5,8-dimethylnaphthalen-1-ol?
2-benzyl-5,8-dimethylnaphthalen-1-ol has a molecular weight of 262.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,8-dimethylnaphthalen-1-ol is sourced from PubChem (CID 15617883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).