9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate

C23H18O3 — CID 7872542

IUPAC9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H18O3/c1-25-17-13-10-16(11-14-17)12-15-22(24)26-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-15,23H,1H3/b15-12+
InChIKeyOASGUMRVKZZHHB-NTCAYCPXSA-N
MW342.39 g/mol
LogP5.02
Rot. Bonds4

About 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate

9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 7872542) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID7872542
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H18O3/c1-25-17-13-10-16(11-14-17)12-15-22(24)26-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-15,23H,1H3/b15-12+
InChIKeyOASGUMRVKZZHHB-NTCAYCPXSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485456
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89402377
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 7872542) is 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is OASGUMRVKZZHHB-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-17-13-10-16(11-14-17)12-15-22(24)26-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-15,23H,1H3/b15-12+.
What are the key properties of 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate?
9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7872542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).