4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol

C21H18O3 — CID 90887876

IUPAC4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol
SMILESCC1=CC(O)Oc2cc(OCc3cccc4ccccc34)ccc21
InChIInChI=1S/C21H18O3/c1-14-11-21(22)24-20-12-17(9-10-18(14)20)23-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,21-22H,13H2,1H3
InChIKeyRNDUCWNUOHOXLQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.53
Rot. Bonds3

About 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol

4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol (PubChem CID 90887876) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol.

Molecular Properties

Compound Name4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol
PubChem CID90887876
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol
SMILESCC1=CC(O)Oc2cc(OCc3cccc4ccccc34)ccc21
InChIInChI=1S/C21H18O3/c1-14-11-21(22)24-20-12-17(9-10-18(14)20)23-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,21-22H,13H2,1H3
InChIKeyRNDUCWNUOHOXLQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol?
The IUPAC name of 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol (CID 90887876) is 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol.
What is the SMILES notation for 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol?
The canonical SMILES for 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol is CC1=CC(O)Oc2cc(OCc3cccc4ccccc34)ccc21.
What is the InChIKey of 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol?
The InChIKey is RNDUCWNUOHOXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-14-11-21(22)24-20-12-17(9-10-18(14)20)23-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,21-22H,13H2,1H3.
What are the key properties of 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol?
4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol has a molecular weight of 318.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(naphthalen-1-ylmethoxy)-2H-chromen-2-ol is sourced from PubChem (CID 90887876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).