1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol

C22H16O2 — CID 22935839

IUPAC1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
SMILESC=COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H16O2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h2-14,23H,1H2
InChIKeyYVZAGKGDSNCOQS-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.89
Rot. Bonds3

About 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol

1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 22935839) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID22935839
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
SMILESC=COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H16O2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h2-14,23H,1H2
InChIKeyYVZAGKGDSNCOQS-UHFFFAOYSA-N
XLogP5.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol (CID 22935839) is 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol is C=COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is YVZAGKGDSNCOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c1-2-24-20-14-12-16-8-4-6-10-18(16)22(20)21-17-9-5-3-7-15(17)11-13-19(21)23/h2-14,23H,1H2.
What are the key properties of 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol?
1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 22935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).