3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol

C16H14N2O — CID 4984011

IUPAC3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol
SMILESCc1cc(C)c(-c2ccc3cccnc3n2)c(O)c1
InChIInChI=1S/C16H14N2O/c1-10-8-11(2)15(14(19)9-10)13-6-5-12-4-3-7-17-16(12)18-13/h3-9,19H,1-2H3
InChIKeyBUTLQDDPHXZUQR-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.62
Rot. Bonds1

About 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol

3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol (PubChem CID 4984011) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol
PubChem CID4984011
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol
SMILESCc1cc(C)c(-c2ccc3cccnc3n2)c(O)c1
InChIInChI=1S/C16H14N2O/c1-10-8-11(2)15(14(19)9-10)13-6-5-12-4-3-7-17-16(12)18-13/h3-9,19H,1-2H3
InChIKeyBUTLQDDPHXZUQR-UHFFFAOYSA-N
XLogP3.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol?
The IUPAC name of 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol (CID 4984011) is 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol.
What is the SMILES notation for 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol?
The canonical SMILES for 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol is Cc1cc(C)c(-c2ccc3cccnc3n2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol?
The InChIKey is BUTLQDDPHXZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-8-11(2)15(14(19)9-10)13-6-5-12-4-3-7-17-16(12)18-13/h3-9,19H,1-2H3.
What are the key properties of 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol?
3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol has a molecular weight of 250.30 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1,8-naphthyridin-2-yl)phenol is sourced from PubChem (CID 4984011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).