2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate

C20H20O4 — CID 174490789

IUPAC2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1cc(C(=O)OC(C)(C)C)ccc1-2
InChIInChI=1S/C20H20O4/c1-20(2,3)24-19(22)13-6-8-17-15(10-13)11-14-9-12(18(21)23-4)5-7-16(14)17/h5-10H,11H2,1-4H3
InChIKeyHPCRFSKYCKXFSP-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds2

About 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate

2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate (PubChem CID 174490789) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
PubChem CID174490789
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1cc(C(=O)OC(C)(C)C)ccc1-2
InChIInChI=1S/C20H20O4/c1-20(2,3)24-19(22)13-6-8-17-15(10-13)11-14-9-12(18(21)23-4)5-7-16(14)17/h5-10H,11H2,1-4H3
InChIKeyHPCRFSKYCKXFSP-UHFFFAOYSA-N
XLogP4.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
CID 177164736
2-O-tert-butyl 6-O,7-O-dimethyl 9H-indeno[2,1-b]pyridine-2,6,7-tricarboxylate
CID 141154852
tert-butyl 3-hydroxy-4-(4-methylphenyl)benzoate
CID 175791059
tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate
CID 70699579
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582515
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
tert-butyl N-[N'-[7-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-9H-fluoren-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 135499706
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
tert-butyl 4-acetamido-3-aminobenzoate
CID 11032294

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate (CID 174490789) is 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate is COC(=O)c1ccc2c(c1)Cc1cc(C(=O)OC(C)(C)C)ccc1-2.
What is the InChIKey of 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate?
The InChIKey is HPCRFSKYCKXFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2,3)24-19(22)13-6-8-17-15(10-13)11-14-9-12(18(21)23-4)5-7-16(14)17/h5-10H,11H2,1-4H3.
What are the key properties of 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate?
2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate has a molecular weight of 324.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate is sourced from PubChem (CID 174490789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).