1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol

C22H28O3 — CID 142508959

IUPAC1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.Cc1ccc2c(c1)C(=O)c1c(C)cccc1-2
InChIInChI=1S/C15H12O.C7H16O2/c1-9-6-7-11-12-5-3-4-10(2)14(12)15(16)13(11)8-9;1-6(2,8)7(3,4)9-5/h3-8H,1-2H3;8H,1-5H3
InChIKeyLEVKHYDRVHVAJV-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.70
Rot. Bonds2

About 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol

1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 142508959) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID142508959
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCOC(C)(C)C(C)(C)O.Cc1ccc2c(c1)C(=O)c1c(C)cccc1-2
InChIInChI=1S/C15H12O.C7H16O2/c1-9-6-7-11-12-5-3-4-10(2)14(12)15(16)13(11)8-9;1-6(2,8)7(3,4)9-5/h3-8H,1-2H3;8H,1-5H3
InChIKeyLEVKHYDRVHVAJV-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethylphenanthrene-9,10-dione;ethane
CID 54539649
9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
CID 56620359
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
1-amino-3,7-dimethylfluoren-9-one
CID 15447110
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2-methoxy-6-methylfluoren-9-one
CID 169198654
5-methyl-9,10-dioxoanthracene-1-sulfonic acid
CID 89441677
2-hydroxy-5-methylfluoren-9-one
CID 82579449
1,2,4,7-tetramethylanthracene-9,10-dione
CID 23454169
6-methyl-9,10-dioxoanthracene-1-carbonitrile
CID 170189874
1,4-dihydroxy-2,7-dimethylanthracene-9,10-dione
CID 102313508
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-hydroxy-8-methylnaphthalene-1,2-dione
CID 10862127

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol (CID 142508959) is 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol is COC(C)(C)C(C)(C)O.Cc1ccc2c(c1)C(=O)c1c(C)cccc1-2.
What is the InChIKey of 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is LEVKHYDRVHVAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C7H16O2/c1-9-6-7-11-12-5-3-4-10(2)14(12)15(16)13(11)8-9;1-6(2,8)7(3,4)9-5/h3-8H,1-2H3;8H,1-5H3.
What are the key properties of 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol?
1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 340.46 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 142508959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).