1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene

C18H20O — CID 58590301

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene
SMILESCC(C)(C)OCC1=CC=C2C=CC=C3C=CC=C1C32
InChIInChI=1S/C18H20O/c1-18(2,3)19-12-15-11-10-14-7-4-6-13-8-5-9-16(15)17(13)14/h4-11,17H,12H2,1-3H3
InChIKeyBHXYKNUGOXBNDV-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.28
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene

1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene (PubChem CID 58590301) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene
PubChem CID58590301
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene
SMILESCC(C)(C)OCC1=CC=C2C=CC=C3C=CC=C1C32
InChIInChI=1S/C18H20O/c1-18(2,3)19-12-15-11-10-14-7-4-6-13-8-5-9-16(15)17(13)14/h4-11,17H,12H2,1-3H3
InChIKeyBHXYKNUGOXBNDV-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrobenzo[b]pyran
CID 15824515
Hexahydro-6h-benzo[c]chromene
CID 69153329
2h-3,9a-Methano-1-benzoxepin
CID 132118365
(5S)-5-fluoro-5-(4-methylhexoxy)cyclohexa-1,3-diene
CID 154421990
5-Fluoro-5-(4-methylhexoxy)cyclohexa-1,3-diene
CID 154421992
(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
CID 11182804
Tetrahydrodimethylnaphthopyran
CID 129650735
4-Methyl-3-mesityloxide
CID 129810439
(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
CID 134995987
8a,9,9a,10a-tetrahydro-4aH-xanthene
CID 135038152
(9R)-4-ethenyl-6-methyl-9-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-diene
CID 11127681
(2R,4S)-4-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]oxane
CID 14805481

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene (CID 58590301) is 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene is CC(C)(C)OCC1=CC=C2C=CC=C3C=CC=C1C32.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene?
The InChIKey is BHXYKNUGOXBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-18(2,3)19-12-15-11-10-14-7-4-6-13-8-5-9-16(15)17(13)14/h4-11,17H,12H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene?
1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene has a molecular weight of 252.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]-9bH-phenalene is sourced from PubChem (CID 58590301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).