(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate

C24H22O2 — CID 59476831

IUPAC(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C24H22O2/c1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24/h5-14,16H,1H2,2-4H3
InChIKeyXNRBRORDPWPFGO-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.84
Rot. Bonds3

About (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate

(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate (PubChem CID 59476831) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
PubChem CID59476831
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C24H22O2/c1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24/h5-14,16H,1H2,2-4H3
InChIKeyXNRBRORDPWPFGO-UHFFFAOYSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The IUPAC name of (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate (CID 59476831) is (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The canonical SMILES for (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The InChIKey is XNRBRORDPWPFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24/h5-14,16H,1H2,2-4H3.
What are the key properties of (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate has a molecular weight of 342.44 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).