2-naphthalen-2-yloxypropane-1,1-diol

C13H14O3 — CID 91391237

IUPAC2-naphthalen-2-yloxypropane-1,1-diol
SMILESCC(Oc1ccc2ccccc2c1)C(O)O
InChIInChI=1S/C13H14O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-15H,1H3
InChIKeyHDCUAQNFZDYPLX-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.92
Rot. Bonds3

About 2-naphthalen-2-yloxypropane-1,1-diol

2-naphthalen-2-yloxypropane-1,1-diol (PubChem CID 91391237) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-naphthalen-2-yloxypropane-1,1-diol.

Molecular Properties

Compound Name2-naphthalen-2-yloxypropane-1,1-diol
PubChem CID91391237
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-naphthalen-2-yloxypropane-1,1-diol
SMILESCC(Oc1ccc2ccccc2c1)C(O)O
InChIInChI=1S/C13H14O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-15H,1H3
InChIKeyHDCUAQNFZDYPLX-UHFFFAOYSA-N
XLogP1.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-ylperoxynaphthalene;bis(propan-2-ol);titanium
CID 87580087
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
CID 160507416
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
CID 173224247

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxypropane-1,1-diol?
The IUPAC name of 2-naphthalen-2-yloxypropane-1,1-diol (CID 91391237) is 2-naphthalen-2-yloxypropane-1,1-diol.
What is the SMILES notation for 2-naphthalen-2-yloxypropane-1,1-diol?
The canonical SMILES for 2-naphthalen-2-yloxypropane-1,1-diol is CC(Oc1ccc2ccccc2c1)C(O)O.
What is the InChIKey of 2-naphthalen-2-yloxypropane-1,1-diol?
The InChIKey is HDCUAQNFZDYPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13-15H,1H3.
What are the key properties of 2-naphthalen-2-yloxypropane-1,1-diol?
2-naphthalen-2-yloxypropane-1,1-diol has a molecular weight of 218.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxypropane-1,1-diol is sourced from PubChem (CID 91391237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).