methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate

C15H10Cl2O3 — CID 619330

IUPACmethyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate
SMILESCOC(=O)C1(O)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2O3/c1-20-14(18)15(19)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7,19H,1H3
InChIKeyJVSNVPQGCMNILW-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.38
Rot. Bonds1

About methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate

methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate (PubChem CID 619330) has the molecular formula C15H10Cl2O3 and a molecular weight of 309.15 g/mol. Its IUPAC name is methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate
PubChem CID619330
Molecular FormulaC15H10Cl2O3
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Namemethyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate
SMILESCOC(=O)C1(O)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H10Cl2O3/c1-20-14(18)15(19)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7,19H,1H3
InChIKeyJVSNVPQGCMNILW-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate?
The IUPAC name of methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate (CID 619330) is methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate is COC(=O)C1(O)c2cc(Cl)ccc2-c2ccc(Cl)cc21.
What is the InChIKey of methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate?
The InChIKey is JVSNVPQGCMNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O3/c1-20-14(18)15(19)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7,19H,1H3.
What are the key properties of methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate?
methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate has a molecular weight of 309.15 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,7-dichloro-9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 619330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).