[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate

C21H22O3 — CID 59476842

IUPAC[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O3/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21/h4-7,9-12H,1,8,13-14H2,2-3H3
InChIKeyYTXSSFKGENMGBA-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.46
Rot. Bonds6

About [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate

[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate (PubChem CID 59476842) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
PubChem CID59476842
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O3/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21/h4-7,9-12H,1,8,13-14H2,2-3H3
InChIKeyYTXSSFKGENMGBA-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476823
(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate
CID 160519845
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
(9-tert-butylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476848
(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891182
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
CID 59476795
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 59476831
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
CID 70055433
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891174

Frequently Asked Questions

What is the IUPAC name of [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The IUPAC name of [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate (CID 59476842) is [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The canonical SMILES for [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate?
The InChIKey is YTXSSFKGENMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21/h4-7,9-12H,1,8,13-14H2,2-3H3.
What are the key properties of [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate?
[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 59476842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).