(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate

C23H16O2 — CID 59476795

IUPAC(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C23H16O2/c1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23/h1,5-14H,2H2,3H3
InChIKeyVUIGMFJPHKBTIT-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.82
Rot. Bonds2

About (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate

(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate (PubChem CID 59476795) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
PubChem CID59476795
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C23H16O2/c1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23/h1,5-14H,2H2,3H3
InChIKeyVUIGMFJPHKBTIT-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 158883874
methyl 2-methylprop-2-enoate;pentacene
CID 159710658
(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethynylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate
CID 157491019
(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethynylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate
CID 159104116
(9-tert-butylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476848
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-[11-[2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]benzo[b]fluoren-11-yl]propanoate
CID 168800282
[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476842
(7-methylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;nitromethane
CID 160961559
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 59476831
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185

Frequently Asked Questions

What is the IUPAC name of (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate?
The IUPAC name of (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate (CID 59476795) is (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate?
The canonical SMILES for (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate is C#CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate?
The InChIKey is VUIGMFJPHKBTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23/h1,5-14H,2H2,3H3.
What are the key properties of (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate?
(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate has a molecular weight of 324.38 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59476795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).