6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one

C16H18O2 — CID 101399502

IUPAC6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one
SMILESCCc1ccc2c(c1)C(O)C1=C(CCCC1)C2=O
InChIInChI=1S/C16H18O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9,16,18H,2-6H2,1H3
InChIKeyPMVOMPDSAOZRJF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.35
Rot. Bonds1

About 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one

6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one (PubChem CID 101399502) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one.

Molecular Properties

Compound Name6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one
PubChem CID101399502
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one
SMILESCCc1ccc2c(c1)C(O)C1=C(CCCC1)C2=O
InChIInChI=1S/C16H18O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9,16,18H,2-6H2,1H3
InChIKeyPMVOMPDSAOZRJF-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethylanthracene-9,10-dione
CID 130464580
1-[(3R,4S)-6-ethyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 54512297
6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 57083921
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
6-[1-(7-ethyl-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 138691582
6-ethyl-9a-hydroxy-2,3,4,4a-tetrahydro-1H-anthracene-9,10-dione
CID 15515063
6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821566
3-ethylfluoren-9-one
CID 11344805
5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 143637983
(2E)-5-ethyl-2-hydroxyimino-3H-inden-1-one
CID 172957517
6-ethyl-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726554
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one?
The IUPAC name of 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one (CID 101399502) is 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one.
What is the SMILES notation for 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one?
The canonical SMILES for 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one is CCc1ccc2c(c1)C(O)C1=C(CCCC1)C2=O.
What is the InChIKey of 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one?
The InChIKey is PMVOMPDSAOZRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9,16,18H,2-6H2,1H3.
What are the key properties of 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one?
6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one has a molecular weight of 242.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-hydroxy-2,3,4,10-tetrahydro-1H-anthracen-9-one is sourced from PubChem (CID 101399502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).