8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol

C21H17NO3 — CID 102008790

IUPAC8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol
SMILESCOc1ccc(Oc2ccc(N)c3ccccc23)c2c(O)cccc12
InChIInChI=1S/C21H17NO3/c1-24-18-11-12-20(21-15(18)7-4-8-17(21)23)25-19-10-9-16(22)13-5-2-3-6-14(13)19/h2-12,23H,22H2,1H3
InChIKeyRVVJWNRLECCRKS-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.08
Rot. Bonds3

About 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol

8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol (PubChem CID 102008790) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol
PubChem CID102008790
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol
SMILESCOc1ccc(Oc2ccc(N)c3ccccc23)c2c(O)cccc12
InChIInChI=1S/C21H17NO3/c1-24-18-11-12-20(21-15(18)7-4-8-17(21)23)25-19-10-9-16(22)13-5-2-3-6-14(13)19/h2-12,23H,22H2,1H3
InChIKeyRVVJWNRLECCRKS-UHFFFAOYSA-N
XLogP5.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol?
The IUPAC name of 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol (CID 102008790) is 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol.
What is the SMILES notation for 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol?
The canonical SMILES for 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol is COc1ccc(Oc2ccc(N)c3ccccc23)c2c(O)cccc12.
What is the InChIKey of 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol?
The InChIKey is RVVJWNRLECCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-18-11-12-20(21-15(18)7-4-8-17(21)23)25-19-10-9-16(22)13-5-2-3-6-14(13)19/h2-12,23H,22H2,1H3.
What are the key properties of 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol?
8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol has a molecular weight of 331.37 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminonaphthalen-1-yl)oxy-5-methoxynaphthalen-1-ol is sourced from PubChem (CID 102008790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).