methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate

C25H20O5 — CID 71473031

IUPACmethyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H20O5/c1-28-15-23(25(27)29-2)18-8-4-3-7-16(18)14-30-17-11-12-20-19-9-5-6-10-21(19)24(26)22(20)13-17/h3-13,15H,14H2,1-2H3/b23-15+
InChIKeyJYYOMTDYEXKFKY-HZHRSRAPSA-N
MW400.43 g/mol
LogP4.64
Rot. Bonds6

About methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate

methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate (PubChem CID 71473031) has the molecular formula C25H20O5 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate
PubChem CID71473031
Molecular FormulaC25H20O5
Molecular Weight400.43 g/mol
Exact Mass400.13
IUPAC Namemethyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H20O5/c1-28-15-23(25(27)29-2)18-8-4-3-7-16(18)14-30-17-11-12-20-19-9-5-6-10-21(19)24(26)22(20)13-17/h3-13,15H,14H2,1-2H3/b23-15+
InChIKeyJYYOMTDYEXKFKY-HZHRSRAPSA-N
XLogP4.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate (CID 71473031) is methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate is CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate?
The InChIKey is JYYOMTDYEXKFKY-HZHRSRAPSA-N. The full InChI is InChI=1S/C25H20O5/c1-28-15-23(25(27)29-2)18-8-4-3-7-16(18)14-30-17-11-12-20-19-9-5-6-10-21(19)24(26)22(20)13-17/h3-13,15H,14H2,1-2H3/b23-15+.
What are the key properties of methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate?
methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate has a molecular weight of 400.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methoxy-2-[2-[(9-oxofluoren-2-yl)oxymethyl]phenyl]prop-2-enoate is sourced from PubChem (CID 71473031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).