1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one

C15H18O2 — CID 91251481

IUPAC1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one
SMILESCC(C)(O)C1CC2C(=O)Cc3ccccc3C21
InChIInChI=1S/C15H18O2/c1-15(2,17)12-8-11-13(16)7-9-5-3-4-6-10(9)14(11)12/h3-6,11-12,14,17H,7-8H2,1-2H3
InChIKeyYXDYXTPQRJZDQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds1

About 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one

1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one (PubChem CID 91251481) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one.

Molecular Properties

Compound Name1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one
PubChem CID91251481
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one
SMILESCC(C)(O)C1CC2C(=O)Cc3ccccc3C21
InChIInChI=1S/C15H18O2/c1-15(2,17)12-8-11-13(16)7-9-5-3-4-6-10(9)14(11)12/h3-6,11-12,14,17H,7-8H2,1-2H3
InChIKeyYXDYXTPQRJZDQG-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one?
The IUPAC name of 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one (CID 91251481) is 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one.
What is the SMILES notation for 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one?
The canonical SMILES for 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one is CC(C)(O)C1CC2C(=O)Cc3ccccc3C21.
What is the InChIKey of 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one?
The InChIKey is YXDYXTPQRJZDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2,17)12-8-11-13(16)7-9-5-3-4-6-10(9)14(11)12/h3-6,11-12,14,17H,7-8H2,1-2H3.
What are the key properties of 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one?
1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropan-2-yl)-2,2a,4,8b-tetrahydro-1H-cyclobuta[a]naphthalen-3-one is sourced from PubChem (CID 91251481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).