[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol

C25H28O2 — CID 22120170

IUPAC[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol
SMILESCC1(C)CCC(C)(C)c2cc(Oc3ccc4c(CO)cccc4c3)ccc21
InChIInChI=1S/C25H28O2/c1-24(2)12-13-25(3,4)23-15-20(9-11-22(23)24)27-19-8-10-21-17(14-19)6-5-7-18(21)16-26/h5-11,14-15,26H,12-13,16H2,1-4H3
InChIKeyRPYZDASBAWKNSY-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.47
Rot. Bonds3

About [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol

[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol (PubChem CID 22120170) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol
PubChem CID22120170
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol
SMILESCC1(C)CCC(C)(C)c2cc(Oc3ccc4c(CO)cccc4c3)ccc21
InChIInChI=1S/C25H28O2/c1-24(2)12-13-25(3,4)23-15-20(9-11-22(23)24)27-19-8-10-21-17(14-19)6-5-7-18(21)16-26/h5-11,14-15,26H,12-13,16H2,1-4H3
InChIKeyRPYZDASBAWKNSY-UHFFFAOYSA-N
XLogP6.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol?
The IUPAC name of [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol (CID 22120170) is [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol.
What is the SMILES notation for [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol?
The canonical SMILES for [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol is CC1(C)CCC(C)(C)c2cc(Oc3ccc4c(CO)cccc4c3)ccc21.
What is the InChIKey of [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol?
The InChIKey is RPYZDASBAWKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-24(2)12-13-25(3,4)23-15-20(9-11-22(23)24)27-19-8-10-21-17(14-19)6-5-7-18(21)16-26/h5-11,14-15,26H,12-13,16H2,1-4H3.
What are the key properties of [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol?
[6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol has a molecular weight of 360.50 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxy]naphthalen-1-yl]methanol is sourced from PubChem (CID 22120170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).