4-benzyl-2,3-dimethylnaphthalen-1-ol

C19H18O — CID 141076529

IUPAC4-benzyl-2,3-dimethylnaphthalen-1-ol
SMILESCc1c(C)c(Cc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C19H18O/c1-13-14(2)19(20)17-11-7-6-10-16(17)18(13)12-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKeyAQQVLYNBKYZZIE-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.75
Rot. Bonds2

About 4-benzyl-2,3-dimethylnaphthalen-1-ol

4-benzyl-2,3-dimethylnaphthalen-1-ol (PubChem CID 141076529) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-benzyl-2,3-dimethylnaphthalen-1-ol.

Molecular Properties

Compound Name4-benzyl-2,3-dimethylnaphthalen-1-ol
PubChem CID141076529
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name4-benzyl-2,3-dimethylnaphthalen-1-ol
SMILESCc1c(C)c(Cc2ccccc2)c2ccccc2c1O
InChIInChI=1S/C19H18O/c1-13-14(2)19(20)17-11-7-6-10-16(17)18(13)12-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKeyAQQVLYNBKYZZIE-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 4-benzyl-2,3-dimethylnaphthalen-1-ol?
The IUPAC name of 4-benzyl-2,3-dimethylnaphthalen-1-ol (CID 141076529) is 4-benzyl-2,3-dimethylnaphthalen-1-ol.
What is the SMILES notation for 4-benzyl-2,3-dimethylnaphthalen-1-ol?
The canonical SMILES for 4-benzyl-2,3-dimethylnaphthalen-1-ol is Cc1c(C)c(Cc2ccccc2)c2ccccc2c1O.
What is the InChIKey of 4-benzyl-2,3-dimethylnaphthalen-1-ol?
The InChIKey is AQQVLYNBKYZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-13-14(2)19(20)17-11-7-6-10-16(17)18(13)12-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 4-benzyl-2,3-dimethylnaphthalen-1-ol?
4-benzyl-2,3-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 4-benzyl-2,3-dimethylnaphthalen-1-ol is sourced from PubChem (CID 141076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).