1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

C21H16O2 — CID 14187

IUPAC1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
InChIKeyZPANWZBSGMDWON-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.99
Rot. Bonds2

About 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol

1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (PubChem CID 14187) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
PubChem CID14187
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
InChIKeyZPANWZBSGMDWON-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol (CID 14187) is 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
The InChIKey is ZPANWZBSGMDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2.
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol?
1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol has a molecular weight of 300.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 14187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).