2,3,4-trimethyl-10H-anthracen-9-one

C17H16O — CID 21344517

IUPAC2,3,4-trimethyl-10H-anthracen-9-one
SMILESCc1cc2c(c(C)c1C)Cc1ccccc1C2=O
InChIInChI=1S/C17H16O/c1-10-8-16-15(12(3)11(10)2)9-13-6-4-5-7-14(13)17(16)18/h4-8H,9H2,1-3H3
InChIKeyCSZKVAJIGKHKOY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.75
Rot. Bonds

About 2,3,4-trimethyl-10H-anthracen-9-one

2,3,4-trimethyl-10H-anthracen-9-one (PubChem CID 21344517) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,3,4-trimethyl-10H-anthracen-9-one.

Molecular Properties

Compound Name2,3,4-trimethyl-10H-anthracen-9-one
PubChem CID21344517
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2,3,4-trimethyl-10H-anthracen-9-one
SMILESCc1cc2c(c(C)c1C)Cc1ccccc1C2=O
InChIInChI=1S/C17H16O/c1-10-8-16-15(12(3)11(10)2)9-13-6-4-5-7-14(13)17(16)18/h4-8H,9H2,1-3H3
InChIKeyCSZKVAJIGKHKOY-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10H-anthracen-9-one;ethane;methanol
CID 90976205
10H-anthracen-9-one;fluoren-9-one
CID 67642372
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
CID 142743472
1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401
12,13-dimethoxynonacyclo[50.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50]hexapentaconta-1(56),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54-tetracosaene-2,23-dione
CID 10101903
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
CID 100914038

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-10H-anthracen-9-one?
The IUPAC name of 2,3,4-trimethyl-10H-anthracen-9-one (CID 21344517) is 2,3,4-trimethyl-10H-anthracen-9-one.
What is the SMILES notation for 2,3,4-trimethyl-10H-anthracen-9-one?
The canonical SMILES for 2,3,4-trimethyl-10H-anthracen-9-one is Cc1cc2c(c(C)c1C)Cc1ccccc1C2=O.
What is the InChIKey of 2,3,4-trimethyl-10H-anthracen-9-one?
The InChIKey is CSZKVAJIGKHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-10-8-16-15(12(3)11(10)2)9-13-6-4-5-7-14(13)17(16)18/h4-8H,9H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-10H-anthracen-9-one?
2,3,4-trimethyl-10H-anthracen-9-one has a molecular weight of 236.31 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-10H-anthracen-9-one is sourced from PubChem (CID 21344517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).