3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol

C20H20O2 — CID 122385950

IUPAC3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol
SMILESCC(C)(C)Oc1cc2ccccc2c(O)c1-c1ccccc1
InChIInChI=1S/C20H20O2/c1-20(2,3)22-17-13-15-11-7-8-12-16(15)19(21)18(17)14-9-5-4-6-10-14/h4-13,21H,1-3H3
InChIKeyRFVZNIJGWGBPPN-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.39
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol

3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol (PubChem CID 122385950) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol
PubChem CID122385950
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol
SMILESCC(C)(C)Oc1cc2ccccc2c(O)c1-c1ccccc1
InChIInChI=1S/C20H20O2/c1-20(2,3)22-17-13-15-11-7-8-12-16(15)19(21)18(17)14-9-5-4-6-10-14/h4-13,21H,1-3H3
InChIKeyRFVZNIJGWGBPPN-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
3-[(2-methylpropan-2-yl)oxy]-1,2,4,5-tetraphenylbenzene
CID 126747094
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
1,2-bis[(2-methylpropan-2-yl)oxy]naphthalene
CID 18761970
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-(1-hydroxy-3-phenylnaphthalen-2-yl)-3-phenylnaphthalen-1-ol;platinum
CID 6396465
3-[(2-methylpropan-2-yl)oxy]-4-phenylcyclobut-3-ene-1,2-dione
CID 22910857
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
CID 90312399
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328
3-methyl-2,4-diphenylnaphthalen-1-ol
CID 134947598

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol (CID 122385950) is 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol is CC(C)(C)Oc1cc2ccccc2c(O)c1-c1ccccc1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol?
The InChIKey is RFVZNIJGWGBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-20(2,3)22-17-13-15-11-7-8-12-16(15)19(21)18(17)14-9-5-4-6-10-14/h4-13,21H,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol?
3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol has a molecular weight of 292.38 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-2-phenylnaphthalen-1-ol is sourced from PubChem (CID 122385950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).