4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol

C16H12O — CID 58251687

IUPAC4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(O)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C16H12O/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11,17H/i1D,2D,3D,6D,7D
InChIKeyVQWRORYSXGKWSM-FSTBWYLISA-N
MW225.30 g/mol
LogP4.21
Rot. Bonds1

About 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol

4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol (PubChem CID 58251687) has the molecular formula C16H12O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol
PubChem CID58251687
Molecular FormulaC16H12O
Molecular Weight225.30 g/mol
Exact Mass225.12
IUPAC Name4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(O)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C16H12O/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11,17H/i1D,2D,3D,6D,7D
InChIKeyVQWRORYSXGKWSM-FSTBWYLISA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol
CID 177287228
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 166587941
2-chloro-4-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 176627431
3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 164960653
4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]naphthalen-2-amine
CID 140891939
9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracene
CID 166587690
4-(2,3,4,5,6-pentadeuteriophenyl)-6-[3-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]dibenzofuran
CID 170653880
2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 170521710
4-(4-deuterionaphthalen-1-yl)phenol
CID 71601570
[4-[4,6-bis[4-(4-hydroxynaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]methanediol
CID 155058052
1,2,3,6,8,9-hexadeuterio-7-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 167405687
1,2,3,7,8,9-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167406089

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol?
The IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol (CID 58251687) is 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol?
The canonical SMILES for 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol is [2H]c1c([2H])c([2H])c(-c2ccc(O)c3ccccc23)c([2H])c1[2H].
What is the InChIKey of 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol?
The InChIKey is VQWRORYSXGKWSM-FSTBWYLISA-N. The full InChI is InChI=1S/C16H12O/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11,17H/i1D,2D,3D,6D,7D.
What are the key properties of 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol?
4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol has a molecular weight of 225.30 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol is sourced from PubChem (CID 58251687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).