(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol

C22H18O2 — CID 10470897

IUPAC(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
SMILESO[C@@H](c1cccc2ccccc12)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C22H18O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-24H/t21-,22-/m0/s1
InChIKeyMNRCSHSTIWDUPJ-VXKWHMMOSA-N
MW314.38 g/mol
LogP4.76
Rot. Bonds3

About (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol (PubChem CID 10470897) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
PubChem CID10470897
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
SMILESO[C@@H](c1cccc2ccccc12)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C22H18O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-24H/t21-,22-/m0/s1
InChIKeyMNRCSHSTIWDUPJ-VXKWHMMOSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
1,3,4-trihydroxy-4-naphthalen-1-ylbutan-2-one
CID 102281218
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
CID 14387515

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol (CID 10470897) is (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol is O[C@@H](c1cccc2ccccc12)[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol?
The InChIKey is MNRCSHSTIWDUPJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-24H/t21-,22-/m0/s1.
What are the key properties of (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol?
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol has a molecular weight of 314.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol is sourced from PubChem (CID 10470897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).