(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate

C23H22O2 — CID 134170383

IUPAC(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(C)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C23H22O2/c1-22(2,3)21(24)25-23(4)18-12-8-7-11-17(18)20-16-10-6-5-9-15(16)13-14-19(20)23/h5-14H,1-4H3
InChIKeyWQPPRNNYBCIHRD-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.67
Rot. Bonds1

About (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate

(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate (PubChem CID 134170383) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate
PubChem CID134170383
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(C)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C23H22O2/c1-22(2,3)21(24)25-23(4)18-12-8-7-11-17(18)20-16-10-6-5-9-15(16)13-14-19(20)23/h5-14H,1-4H3
InChIKeyWQPPRNNYBCIHRD-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate?
The IUPAC name of (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate (CID 134170383) is (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(C)c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate?
The InChIKey is WQPPRNNYBCIHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-22(2,3)21(24)25-23(4)18-12-8-7-11-17(18)20-16-10-6-5-9-15(16)13-14-19(20)23/h5-14H,1-4H3.
What are the key properties of (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate?
(7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate has a molecular weight of 330.43 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylbenzo[c]fluoren-7-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 134170383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).