2,4-dimethoxynaphthalen-1-ol

C12H12O3 — CID 12563547

IUPAC2,4-dimethoxynaphthalen-1-ol
SMILESCOc1cc(OC)c2ccccc2c1O
InChIInChI=1S/C12H12O3/c1-14-10-7-11(15-2)12(13)9-6-4-3-5-8(9)10/h3-7,13H,1-2H3
InChIKeyLDIZAOICCJHGQB-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.56
Rot. Bonds2

About 2,4-dimethoxynaphthalen-1-ol

2,4-dimethoxynaphthalen-1-ol (PubChem CID 12563547) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,4-dimethoxynaphthalen-1-ol.

Molecular Properties

Compound Name2,4-dimethoxynaphthalen-1-ol
PubChem CID12563547
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2,4-dimethoxynaphthalen-1-ol
SMILESCOc1cc(OC)c2ccccc2c1O
InChIInChI=1S/C12H12O3/c1-14-10-7-11(15-2)12(13)9-6-4-3-5-8(9)10/h3-7,13H,1-2H3
InChIKeyLDIZAOICCJHGQB-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxynaphthalen-1-ol?
The IUPAC name of 2,4-dimethoxynaphthalen-1-ol (CID 12563547) is 2,4-dimethoxynaphthalen-1-ol.
What is the SMILES notation for 2,4-dimethoxynaphthalen-1-ol?
The canonical SMILES for 2,4-dimethoxynaphthalen-1-ol is COc1cc(OC)c2ccccc2c1O.
What is the InChIKey of 2,4-dimethoxynaphthalen-1-ol?
The InChIKey is LDIZAOICCJHGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-10-7-11(15-2)12(13)9-6-4-3-5-8(9)10/h3-7,13H,1-2H3.
What are the key properties of 2,4-dimethoxynaphthalen-1-ol?
2,4-dimethoxynaphthalen-1-ol has a molecular weight of 204.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxynaphthalen-1-ol is sourced from PubChem (CID 12563547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).