1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one

C18H26O2 — CID 45272516

IUPAC1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H26O2/c1-11(2)16(20)12-9-13-14(10-15(12)19)18(5,6)8-7-17(13,3)4/h9-11,19H,7-8H2,1-6H3
InChIKeyVWXMVIDCAYOGIU-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.58
Rot. Bonds2

About 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one

1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one (PubChem CID 45272516) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
PubChem CID45272516
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H26O2/c1-11(2)16(20)12-9-13-14(10-15(12)19)18(5,6)8-7-17(13,3)4/h9-11,19H,7-8H2,1-6H3
InChIKeyVWXMVIDCAYOGIU-UHFFFAOYSA-N
XLogP4.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chrysophanol
CID 10208
Plumbagin
CID 10205
Anthralin
CID 2202
3-Hydroxy-2-naphthoic acid
CID 7104
1-Hydroxyanthraquinone
CID 8512
Chrysophanic acid-9-anthrone
CID 68111
Anthrarufin
CID 8328
Resistomycin
CID 135430323
Nimbidiol
CID 11334829
2-Hydroxy-1-naphthaldehyde
CID 12819
1,3,8-Trihydroxy-6-methyl-9(10H)-anthracenone
CID 122635
Diospyrin
CID 308140

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one (CID 45272516) is 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one?
The InChIKey is VWXMVIDCAYOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-11(2)16(20)12-9-13-14(10-15(12)19)18(5,6)8-7-17(13,3)4/h9-11,19H,7-8H2,1-6H3.
What are the key properties of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one?
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 45272516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).