3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol

C13H14O — CID 169444620

IUPAC3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
SMILES[2H]C([2H])([2H])C(CO)c1cccc2ccccc12
InChIInChI=1S/C13H14O/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3/i1D3
InChIKeyYZMWRFOKAISJQX-FIBGUPNXSA-N
MW189.27 g/mol
LogP2.94
Rot. Bonds3

About 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol

3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol (PubChem CID 169444620) has the molecular formula C13H14O and a molecular weight of 189.27 g/mol. Its IUPAC name is 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
PubChem CID169444620
Molecular FormulaC13H14O
Molecular Weight189.27 g/mol
Exact Mass189.12
IUPAC Name3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
SMILES[2H]C([2H])([2H])C(CO)c1cccc2ccccc12
InChIInChI=1S/C13H14O/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3/i1D3
InChIKeyYZMWRFOKAISJQX-FIBGUPNXSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
2-(6-methylnaphthalen-1-yl)propan-1-ol
CID 105452929
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
3-naphthalen-1-ylbutanoic acid
CID 43211329
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
CID 10632339
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58856768
2-phthalazin-5-ylpropan-1-ol
CID 117281159
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-naphthalen-1-ylhexan-1-ol
CID 57029231

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol?
The IUPAC name of 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol (CID 169444620) is 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol.
What is the SMILES notation for 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol?
The canonical SMILES for 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol is [2H]C([2H])([2H])C(CO)c1cccc2ccccc12.
What is the InChIKey of 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol?
The InChIKey is YZMWRFOKAISJQX-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H14O/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3/i1D3.
What are the key properties of 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol?
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol is sourced from PubChem (CID 169444620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).