3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one

C15H16O2 — CID 11651530

IUPAC3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one
SMILESCc1cccc2c1CC1=C(CC(C)CC1=O)O2
InChIInChI=1S/C15H16O2/c1-9-6-13(16)12-8-11-10(2)4-3-5-14(11)17-15(12)7-9/h3-5,9H,6-8H2,1-2H3
InChIKeyIENSRVSDDGGPLF-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.18
Rot. Bonds

About 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one

3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one (PubChem CID 11651530) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one.

Molecular Properties

Compound Name3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one
PubChem CID11651530
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one
SMILESCc1cccc2c1CC1=C(CC(C)CC1=O)O2
InChIInChI=1S/C15H16O2/c1-9-6-13(16)12-8-11-10(2)4-3-5-14(11)17-15(12)7-9/h3-5,9H,6-8H2,1-2H3
InChIKeyIENSRVSDDGGPLF-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141132371
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
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(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene
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3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
CID 25172406
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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one?
The IUPAC name of 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one (CID 11651530) is 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one.
What is the SMILES notation for 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one?
The canonical SMILES for 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one is Cc1cccc2c1CC1=C(CC(C)CC1=O)O2.
What is the InChIKey of 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one?
The InChIKey is IENSRVSDDGGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-6-13(16)12-8-11-10(2)4-3-5-14(11)17-15(12)7-9/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one?
3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one has a molecular weight of 228.29 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one is sourced from PubChem (CID 11651530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).