3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine

C24H19NO2 — CID 168876183

IUPAC3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H
InChIKeySHTMVLLBNFZQLQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.71
Rot. Bonds2

About 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine

3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 168876183) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID168876183
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H
InChIKeySHTMVLLBNFZQLQ-UHFFFAOYSA-N
XLogP5.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10bS)-5-naphthalen-2-yl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7177227
(2S,10S)-10-phenyl-9,13-dioxa-11-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),3,5,7,15,17,19,21-octaen-12-one
CID 101424252
(2R,14S)-2-phenyl-13-oxa-1-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4,6,8,10,15,17,19-octaene
CID 162398766
[(9S,14aS)-9-(4-chlorophenyl)-5,6,9,14a-tetrahydroisoquinolino[1,2-b][1,3,4]benzoxadiazepin-8-yl]-phenylmethanone
CID 139193177
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 98199618
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(5S,6S)-2-chloro-3,3-dimethyl-5-naphthalen-2-yl-6-phenyl-1,3-oxazinan-3-ium
CID 90710322
2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine
CID 168876188
(2R)-2-naphthalen-2-yl-2H-chromene
CID 102138698
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(1S,2S,2aR,10bR)-1,2-dinaphthalen-2-yl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 11944764

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine (CID 168876183) is 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine is ON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1.
What is the InChIKey of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is SHTMVLLBNFZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H.
What are the key properties of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 353.42 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 168876183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).