(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione

C21H26O2 — CID 102436390

IUPAC(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCC(C)c1cc2c(c(C(C)C)c1)C(=O)C1=C(C[C@H](C)CC1)C2=O
InChIInChI=1S/C21H26O2/c1-11(2)14-9-16(12(3)4)19-18(10-14)20(22)17-8-13(5)6-7-15(17)21(19)23/h9-13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyCUVGALNFVYWOOT-CYBMUJFWSA-N
MW310.44 g/mol
LogP5.43
Rot. Bonds2

About (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione

(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 102436390) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID102436390
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESCC(C)c1cc2c(c(C(C)C)c1)C(=O)C1=C(C[C@H](C)CC1)C2=O
InChIInChI=1S/C21H26O2/c1-11(2)14-9-16(12(3)4)19-18(10-14)20(22)17-8-13(5)6-7-15(17)21(19)23/h9-13H,6-8H2,1-5H3/t13-/m1/s1
InChIKeyCUVGALNFVYWOOT-CYBMUJFWSA-N
XLogP5.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
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2,8-bis[2,4,6-tri(propan-2-yl)phenyl]indazolo[1,2-a]indazole-10,12-dione
CID 166096622
N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide
CID 137350371
2-methyl-5-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]cyclopentan-1-one
CID 10545694
6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
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oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
CID 59594085
1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 615177
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
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CID 23175245
CID 23175245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione (CID 102436390) is (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione is CC(C)c1cc2c(c(C(C)C)c1)C(=O)C1=C(C[C@H](C)CC1)C2=O.
What is the InChIKey of (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is CUVGALNFVYWOOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26O2/c1-11(2)14-9-16(12(3)4)19-18(10-14)20(22)17-8-13(5)6-7-15(17)21(19)23/h9-13H,6-8H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione?
(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 310.44 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 102436390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).