[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate

C33H26O4 — CID 66896982

IUPAC[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1(COC(=O)C=Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H26O4/c34-31(21-19-25-11-3-1-4-12-25)36-23-33(24-37-32(35)22-20-26-13-5-2-6-14-26)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H,23-24H2
InChIKeyQTUQJKGYFHSPAP-UHFFFAOYSA-N
MW486.57 g/mol
LogP6.47
Rot. Bonds8

About [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate

[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate (PubChem CID 66896982) has the molecular formula C33H26O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
PubChem CID66896982
Molecular FormulaC33H26O4
Molecular Weight486.57 g/mol
Exact Mass486.18
IUPAC Name[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1(COC(=O)C=Cc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H26O4/c34-31(21-19-25-11-3-1-4-12-25)36-23-33(24-37-32(35)22-20-26-13-5-2-6-14-26)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H,23-24H2
InChIKeyQTUQJKGYFHSPAP-UHFFFAOYSA-N
XLogP6.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
amino 3-phenylprop-2-enoate
CID 67189797
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
3-phenylprop-2-enoyloxymethylphosphonic acid
CID 123586829
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
[(1S,3R)-2,2-dichloro-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]cyclopropyl]methyl (E)-3-phenylprop-2-enoate
CID 7897041
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
3-tricyclo[4.3.1.13,8]undecanylmethyl 3-phenylprop-2-enoate
CID 57365969

Frequently Asked Questions

What is the IUPAC name of [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate?
The IUPAC name of [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate (CID 66896982) is [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate.
What is the SMILES notation for [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate?
The canonical SMILES for [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCC1(COC(=O)C=Cc2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate?
The InChIKey is QTUQJKGYFHSPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O4/c34-31(21-19-25-11-3-1-4-12-25)36-23-33(24-37-32(35)22-20-26-13-5-2-6-14-26)29-17-9-7-15-27(29)28-16-8-10-18-30(28)33/h1-22H,23-24H2.
What are the key properties of [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate?
[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate has a molecular weight of 486.57 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate is sourced from PubChem (CID 66896982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).