methyl 1,3-dimethyl-9H-fluorene-9-carboxylate

C17H16O2 — CID 139254061

IUPACmethyl 1,3-dimethyl-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2cc(C)cc(C)c21
InChIInChI=1S/C17H16O2/c1-10-8-11(2)15-14(9-10)12-6-4-5-7-13(12)16(15)17(18)19-3/h4-9,16H,1-3H3
InChIKeyKJYDYRFFADEHGW-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.59
Rot. Bonds1

About methyl 1,3-dimethyl-9H-fluorene-9-carboxylate

methyl 1,3-dimethyl-9H-fluorene-9-carboxylate (PubChem CID 139254061) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 1,3-dimethyl-9H-fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-9H-fluorene-9-carboxylate
PubChem CID139254061
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 1,3-dimethyl-9H-fluorene-9-carboxylate
SMILESCOC(=O)C1c2ccccc2-c2cc(C)cc(C)c21
InChIInChI=1S/C17H16O2/c1-10-8-11(2)15-14(9-10)12-6-4-5-7-13(12)16(15)17(18)19-3/h4-9,16H,1-3H3
InChIKeyKJYDYRFFADEHGW-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-9H-fluorene-9-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-9H-fluorene-9-carboxylate (CID 139254061) is methyl 1,3-dimethyl-9H-fluorene-9-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-9H-fluorene-9-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-9H-fluorene-9-carboxylate is COC(=O)C1c2ccccc2-c2cc(C)cc(C)c21.
What is the InChIKey of methyl 1,3-dimethyl-9H-fluorene-9-carboxylate?
The InChIKey is KJYDYRFFADEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-10-8-11(2)15-14(9-10)12-6-4-5-7-13(12)16(15)17(18)19-3/h4-9,16H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-9H-fluorene-9-carboxylate?
methyl 1,3-dimethyl-9H-fluorene-9-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-9H-fluorene-9-carboxylate is sourced from PubChem (CID 139254061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).