methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate

C21H18O4 — CID 19261502

IUPACmethyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)Cc1cc(/C=C/C(=O)OC)ccc1-2
InChIInChI=1S/C21H18O4/c1-24-20(22)9-5-14-3-7-18-16(11-14)13-17-12-15(4-8-19(17)18)6-10-21(23)25-2/h3-12H,13H2,1-2H3/b9-5+,10-6+
InChIKeyVAJIIWZGLQNOGZ-NXZHAISVSA-N
MW334.37 g/mol
LogP3.63
Rot. Bonds4

About methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate

methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate (PubChem CID 19261502) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
PubChem CID19261502
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Namemethyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)Cc1cc(/C=C/C(=O)OC)ccc1-2
InChIInChI=1S/C21H18O4/c1-24-20(22)9-5-14-3-7-18-16(11-14)13-17-12-15(4-8-19(17)18)6-10-21(23)25-2/h3-12H,13H2,1-2H3/b9-5+,10-6+
InChIKeyVAJIIWZGLQNOGZ-NXZHAISVSA-N
XLogP3.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.63
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

methyl (Z)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoate
CID 92532886
methyl 3-(1,3-dioxo-2-benzofuran-5-yl)prop-2-enoate
CID 169479515
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoate
CID 123594241
methyl 3-[4-hydroxy-3-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54338609
methyl (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enoate
CID 44584092
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl 3-(2,3-dioxo-1H-indol-6-yl)prop-2-enoate
CID 169479545
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl (E)-3-(4-bromo-3-hydroxyphenyl)prop-2-enoate
CID 12641155
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate (CID 19261502) is methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate is COC(=O)/C=C/c1ccc2c(c1)Cc1cc(/C=C/C(=O)OC)ccc1-2.
What is the InChIKey of methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate?
The InChIKey is VAJIIWZGLQNOGZ-NXZHAISVSA-N. The full InChI is InChI=1S/C21H18O4/c1-24-20(22)9-5-14-3-7-18-16(11-14)13-17-12-15(4-8-19(17)18)6-10-21(23)25-2/h3-12H,13H2,1-2H3/b9-5+,10-6+.
What are the key properties of methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate?
methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate has a molecular weight of 334.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[7-[(E)-3-methoxy-3-oxoprop-1-enyl]-9H-fluoren-2-yl]prop-2-enoate is sourced from PubChem (CID 19261502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).