1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

C27H20O2 — CID 56925391

IUPAC1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c([C@H](O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2/c28-24-17-15-19-9-5-7-13-22(19)26(24)25-21-12-6-4-8-18(21)14-16-23(25)27(29)20-10-2-1-3-11-20/h1-17,27-29H/t27-/m1/s1
InChIKeyXBEAGNFQVIFJGE-HHHXNRCGSA-N
MW376.46 g/mol
LogP6.45
Rot. Bonds3

About 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 56925391) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
PubChem CID56925391
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c([C@H](O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2/c28-24-17-15-19-9-5-7-13-22(19)26(24)25-21-12-6-4-8-18(21)14-16-23(25)27(29)20-10-2-1-3-11-20/h1-17,27-29H/t27-/m1/s1
InChIKeyXBEAGNFQVIFJGE-HHHXNRCGSA-N
XLogP6.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol (CID 56925391) is 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c([C@H](O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is XBEAGNFQVIFJGE-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H20O2/c28-24-17-15-19-9-5-7-13-22(19)26(24)25-21-12-6-4-8-18(21)14-16-23(25)27(29)20-10-2-1-3-11-20/h1-17,27-29H/t27-/m1/s1.
What are the key properties of 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol?
1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 376.46 g/mol, XLogP of 6.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 56925391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).