6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

C32H28O4 — CID 158814676

IUPAC6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1c1ccccc1.O=C1c2ccc(O)cc2CCC1c1ccccc1
InChIInChI=1S/2C16H14O2/c2*17-13-7-9-15-12(10-13)6-8-14(16(15)18)11-4-2-1-3-5-11/h2*1-5,7,9-10,14,17H,6,8H2
InChIKeyIVCRBYOSVNHNSU-UHFFFAOYSA-N
MW476.57 g/mol
LogP6.61
Rot. Bonds2

About 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 158814676) has the molecular formula C32H28O4 and a molecular weight of 476.57 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID158814676
Molecular FormulaC32H28O4
Molecular Weight476.57 g/mol
Exact Mass476.20
IUPAC Name6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(O)cc2CCC1c1ccccc1.O=C1c2ccc(O)cc2CCC1c1ccccc1
InChIInChI=1S/2C16H14O2/c2*17-13-7-9-15-12(10-13)6-8-14(16(15)18)11-4-2-1-3-5-11/h2*1-5,7,9-10,14,17H,6,8H2
InChIKeyIVCRBYOSVNHNSU-UHFFFAOYSA-N
XLogP6.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 158814676) is 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(O)cc2CCC1c1ccccc1.O=C1c2ccc(O)cc2CCC1c1ccccc1.
What is the InChIKey of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IVCRBYOSVNHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O2/c2*17-13-7-9-15-12(10-13)6-8-14(16(15)18)11-4-2-1-3-5-11/h2*1-5,7,9-10,14,17H,6,8H2.
What are the key properties of 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 476.57 g/mol, XLogP of 6.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 158814676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).