methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate

C18H16O2 — CID 54310352

IUPACmethyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
SMILESC=C(CC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C18H16O2/c1-12(18(19)20-2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,1,11H2,2H3
InChIKeySKLDGCGKXREUOI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.92
Rot. Bonds3

About methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate

methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate (PubChem CID 54310352) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
PubChem CID54310352
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Namemethyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
SMILESC=C(CC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C18H16O2/c1-12(18(19)20-2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,1,11H2,2H3
InChIKeySKLDGCGKXREUOI-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522
(2S)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoic acid
CID 172800253
2-methoxycarbonylprop-2-enyl(triphenyl)phosphanium
CID 58085087
CID 101120722
CID 101120722
9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
CID 146329215
methyl 2-(phenanthren-9-ylmethyl)prop-2-enoate
CID 87618745
methyl 2-(9H-thioxanthen-9-yl)acetate
CID 102591196
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
lithium 9-ethyl-9H-fluorene
CID 23225742
CID 58624123
CID 58624123
methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
CID 117266981

Frequently Asked Questions

What is the IUPAC name of methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate (CID 54310352) is methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate is C=C(CC1c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate?
The InChIKey is SKLDGCGKXREUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12(18(19)20-2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,1,11H2,2H3.
What are the key properties of methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate?
methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate is sourced from PubChem (CID 54310352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).