2-methyl-4-(4-methylnaphthalen-1-yl)phenol

C18H16O — CID 53405300

IUPAC2-methyl-4-(4-methylnaphthalen-1-yl)phenol
SMILESCc1cc(-c2ccc(C)c3ccccc23)ccc1O
InChIInChI=1S/C18H16O/c1-12-7-9-16(17-6-4-3-5-15(12)17)14-8-10-18(19)13(2)11-14/h3-11,19H,1-2H3
InChIKeyXVEWPFLVCYBSLB-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.83
Rot. Bonds1

About 2-methyl-4-(4-methylnaphthalen-1-yl)phenol

2-methyl-4-(4-methylnaphthalen-1-yl)phenol (PubChem CID 53405300) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methyl-4-(4-methylnaphthalen-1-yl)phenol.

Molecular Properties

Compound Name2-methyl-4-(4-methylnaphthalen-1-yl)phenol
PubChem CID53405300
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name2-methyl-4-(4-methylnaphthalen-1-yl)phenol
SMILESCc1cc(-c2ccc(C)c3ccccc23)ccc1O
InChIInChI=1S/C18H16O/c1-12-7-9-16(17-6-4-3-5-15(12)17)14-8-10-18(19)13(2)11-14/h3-11,19H,1-2H3
InChIKeyXVEWPFLVCYBSLB-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylnaphthalen-1-yl)phenol?
The IUPAC name of 2-methyl-4-(4-methylnaphthalen-1-yl)phenol (CID 53405300) is 2-methyl-4-(4-methylnaphthalen-1-yl)phenol.
What is the SMILES notation for 2-methyl-4-(4-methylnaphthalen-1-yl)phenol?
The canonical SMILES for 2-methyl-4-(4-methylnaphthalen-1-yl)phenol is Cc1cc(-c2ccc(C)c3ccccc23)ccc1O.
What is the InChIKey of 2-methyl-4-(4-methylnaphthalen-1-yl)phenol?
The InChIKey is XVEWPFLVCYBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-9-16(17-6-4-3-5-15(12)17)14-8-10-18(19)13(2)11-14/h3-11,19H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylnaphthalen-1-yl)phenol?
2-methyl-4-(4-methylnaphthalen-1-yl)phenol has a molecular weight of 248.32 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylnaphthalen-1-yl)phenol is sourced from PubChem (CID 53405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).