1,1,3,3,6-pentamethylphenalen-2-one

C18H20O — CID 177264548

IUPAC1,1,3,3,6-pentamethylphenalen-2-one
SMILESCc1ccc2c3c(cccc13)C(C)(C)C(=O)C2(C)C
InChIInChI=1S/C18H20O/c1-11-9-10-14-15-12(11)7-6-8-13(15)17(2,3)16(19)18(14,4)5/h6-10H,1-5H3
InChIKeyGSUAMZMMKSJJDH-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.29
Rot. Bonds

About 1,1,3,3,6-pentamethylphenalen-2-one

1,1,3,3,6-pentamethylphenalen-2-one (PubChem CID 177264548) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,1,3,3,6-pentamethylphenalen-2-one.

Molecular Properties

Compound Name1,1,3,3,6-pentamethylphenalen-2-one
PubChem CID177264548
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1,1,3,3,6-pentamethylphenalen-2-one
SMILESCc1ccc2c3c(cccc13)C(C)(C)C(=O)C2(C)C
InChIInChI=1S/C18H20O/c1-11-9-10-14-15-12(11)7-6-8-13(15)17(2,3)16(19)18(14,4)5/h6-10H,1-5H3
InChIKeyGSUAMZMMKSJJDH-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86048023
(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
CID 125478546
3,4,9-trimethylperylene
CID 59598979
2,7-dimethyl-1H-phenalene
CID 134993724
CID 155586253
CID 155586253
1,5-dimethylnaphthalene
CID 162159355
1,4-dimethyl-5-(trideuteriomethyl)naphthalene
CID 101091330
14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde
CID 132551985
1,1,2,3,4-pentamethylphenalene
CID 173210949
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,6-pentamethylphenalen-2-one?
The IUPAC name of 1,1,3,3,6-pentamethylphenalen-2-one (CID 177264548) is 1,1,3,3,6-pentamethylphenalen-2-one.
What is the SMILES notation for 1,1,3,3,6-pentamethylphenalen-2-one?
The canonical SMILES for 1,1,3,3,6-pentamethylphenalen-2-one is Cc1ccc2c3c(cccc13)C(C)(C)C(=O)C2(C)C.
What is the InChIKey of 1,1,3,3,6-pentamethylphenalen-2-one?
The InChIKey is GSUAMZMMKSJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11-9-10-14-15-12(11)7-6-8-13(15)17(2,3)16(19)18(14,4)5/h6-10H,1-5H3.
What are the key properties of 1,1,3,3,6-pentamethylphenalen-2-one?
1,1,3,3,6-pentamethylphenalen-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,6-pentamethylphenalen-2-one is sourced from PubChem (CID 177264548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).