9H-fluoren-1-ylmethyl 2-methylprop-2-enoate

C18H16O2 — CID 66742349

IUPAC9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H16O2/c1-12(2)18(19)20-11-14-7-5-9-16-15-8-4-3-6-13(15)10-17(14)16/h3-9H,1,10-11H2,2H3
InChIKeyHACMLMJTPNNBNG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.88
Rot. Bonds3

About 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate (PubChem CID 66742349) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
PubChem CID66742349
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H16O2/c1-12(2)18(19)20-11-14-7-5-9-16-15-8-4-3-6-13(15)10-17(14)16/h3-9H,1,10-11H2,2H3
InChIKeyHACMLMJTPNNBNG-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.88
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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Related Compounds

3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
2-(9H-fluoren-1-yl)acetamide
CID 22939017
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
9H-fluoren-1-ylmethyl nitrate
CID 174713486
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate (CID 66742349) is 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate?
The InChIKey is HACMLMJTPNNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(2)18(19)20-11-14-7-5-9-16-15-8-4-3-6-13(15)10-17(14)16/h3-9H,1,10-11H2,2H3.
What are the key properties of 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate?
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 66742349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).