2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione

C17H12O3 — CID 71654507

IUPAC2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione
SMILESO=C1C=C([C@H](O)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,16,19H/t16-/m1/s1
InChIKeyQZUXQFHABMIUOY-MRXNPFEDSA-N
MW264.28 g/mol
LogP2.73
Rot. Bonds2

About 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione

2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione (PubChem CID 71654507) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione
PubChem CID71654507
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione
SMILESO=C1C=C([C@H](O)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,16,19H/t16-/m1/s1
InChIKeyQZUXQFHABMIUOY-MRXNPFEDSA-N
XLogP2.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The IUPAC name of 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione (CID 71654507) is 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The canonical SMILES for 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione is O=C1C=C([C@H](O)c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The InChIKey is QZUXQFHABMIUOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10,16,19H/t16-/m1/s1.
What are the key properties of 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione?
2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione has a molecular weight of 264.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-hydroxy(phenyl)methyl]naphthalene-1,4-dione is sourced from PubChem (CID 71654507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).