5-methyl-1,2,3,4-tetrahydroxanthen-9-one

C14H14O2 — CID 91665355

IUPAC5-methyl-1,2,3,4-tetrahydroxanthen-9-one
SMILESCc1cccc2c(=O)c3c(oc12)CCCC3
InChIInChI=1S/C14H14O2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyMEMSJGBAFUSWBK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.98
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydroxanthen-9-one

5-methyl-1,2,3,4-tetrahydroxanthen-9-one (PubChem CID 91665355) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydroxanthen-9-one.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydroxanthen-9-one
PubChem CID91665355
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-methyl-1,2,3,4-tetrahydroxanthen-9-one
SMILESCc1cccc2c(=O)c3c(oc12)CCCC3
InChIInChI=1S/C14H14O2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyMEMSJGBAFUSWBK-UHFFFAOYSA-N
XLogP2.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8,9-tetrahydrodibenzofuran-4-ol
CID 3045305
3-methoxy-8-methyl-4-oxochromene-2-carboxylic acid
CID 83824191
4-methyl-6H-cyclohepta[b][1]benzofuran
CID 144724082
sodium (2S)-2-(5-methyl-9-oxoxanthen-4-yl)propanoate
CID 90661326
sodium (2R)-2-(5-methyl-9-oxoxanthen-4-yl)propanoate
CID 90661221
2,3-dimethoxy-5-methylxanthen-9-one
CID 154723005
4-hydroxy-8-methylchromen-2-one
CID 54676122
4-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518785
2-(2,5-dimethyl-9-oxoxanthen-4-yl)acetic acid
CID 14885534
methanesulfonyl chloride;1,2,3,4-tetrahydrodibenzofuran
CID 91589984
N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
CID 14128683
6,7,8,9-tetrahydrofuro[3,2-b]xanthen-5-one
CID 134910703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4-tetrahydroxanthen-9-one?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydroxanthen-9-one (CID 91665355) is 5-methyl-1,2,3,4-tetrahydroxanthen-9-one.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydroxanthen-9-one?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydroxanthen-9-one is Cc1cccc2c(=O)c3c(oc12)CCCC3.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydroxanthen-9-one?
The InChIKey is MEMSJGBAFUSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 5-methyl-1,2,3,4-tetrahydroxanthen-9-one?
5-methyl-1,2,3,4-tetrahydroxanthen-9-one has a molecular weight of 214.26 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydroxanthen-9-one is sourced from PubChem (CID 91665355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).