9,10-dihydroanthracen-9-yl 2-methylbutanoate

C19H20O2 — CID 58031105

IUPAC9,10-dihydroanthracen-9-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H20O2/c1-3-13(2)19(20)21-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-11,13,18H,3,12H2,1-2H3
InChIKeyKWUQOIPHUYBVPH-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.27
Rot. Bonds3

About 9,10-dihydroanthracen-9-yl 2-methylbutanoate

9,10-dihydroanthracen-9-yl 2-methylbutanoate (PubChem CID 58031105) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9,10-dihydroanthracen-9-yl 2-methylbutanoate.

Molecular Properties

Compound Name9,10-dihydroanthracen-9-yl 2-methylbutanoate
PubChem CID58031105
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name9,10-dihydroanthracen-9-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H20O2/c1-3-13(2)19(20)21-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-11,13,18H,3,12H2,1-2H3
InChIKeyKWUQOIPHUYBVPH-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-1-yl 2-methylbutanoate
CID 59254180
ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
CID 170021750
[(1R,2S)-1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,3-dihydro-1H-inden-2-yl] (2S)-2-methylbutanoate
CID 71480367
3-(9,10-dihydroanthracen-9-yl)-4-hexan-3-yloxy-4-oxobutanoic acid
CID 68612475
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
CID 144636496
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamothioylamino]ethyl 2-methylbutanoate
CID 87629635
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 130171276
2-(9,10-dihydroanthracen-9-ylamino)propanoic acid
CID 62921269
2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
CID 165437215

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracen-9-yl 2-methylbutanoate?
The IUPAC name of 9,10-dihydroanthracen-9-yl 2-methylbutanoate (CID 58031105) is 9,10-dihydroanthracen-9-yl 2-methylbutanoate.
What is the SMILES notation for 9,10-dihydroanthracen-9-yl 2-methylbutanoate?
The canonical SMILES for 9,10-dihydroanthracen-9-yl 2-methylbutanoate is CCC(C)C(=O)OC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9,10-dihydroanthracen-9-yl 2-methylbutanoate?
The InChIKey is KWUQOIPHUYBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-13(2)19(20)21-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-11,13,18H,3,12H2,1-2H3.
What are the key properties of 9,10-dihydroanthracen-9-yl 2-methylbutanoate?
9,10-dihydroanthracen-9-yl 2-methylbutanoate has a molecular weight of 280.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroanthracen-9-yl 2-methylbutanoate is sourced from PubChem (CID 58031105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).