2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol

C25H24O4 — CID 67658257

IUPAC2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
SMILESOC(COCOCC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H24O4/c26-24(22-13-5-9-18-7-1-3-11-20(18)22)15-28-17-29-16-25(27)23-14-6-10-19-8-2-4-12-21(19)23/h1-14,24-27H,15-17H2
InChIKeyRGPVCSXXXARLBZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.75
Rot. Bonds8

About 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol

2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol (PubChem CID 67658257) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
PubChem CID67658257
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
SMILESOC(COCOCC(O)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C25H24O4/c26-24(22-13-5-9-18-7-1-3-11-20(18)22)15-28-17-29-16-25(27)23-14-6-10-19-8-2-4-12-21(19)23/h1-14,24-27H,15-17H2
InChIKeyRGPVCSXXXARLBZ-UHFFFAOYSA-N
XLogP4.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
CID 103284745
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
3-hydroxy-1,3-dinaphthalen-1-ylpropan-1-one
CID 54562084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol?
The IUPAC name of 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol (CID 67658257) is 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol is OC(COCOCC(O)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol?
The InChIKey is RGPVCSXXXARLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c26-24(22-13-5-9-18-7-1-3-11-20(18)22)15-28-17-29-16-25(27)23-14-6-10-19-8-2-4-12-21(19)23/h1-14,24-27H,15-17H2.
What are the key properties of 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol?
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol has a molecular weight of 388.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 67658257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).