9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate

C23H18O2 — CID 152662857

IUPAC9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H18O2/c24-23(14-13-17-7-2-1-3-8-17)25-16-19-10-6-12-21-20-11-5-4-9-18(20)15-22(19)21/h1-14H,15-16H2
InChIKeyZJXDUHYLLJZVTR-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.01
Rot. Bonds4

About 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate

9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate (PubChem CID 152662857) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
PubChem CID152662857
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H18O2/c24-23(14-13-17-7-2-1-3-8-17)25-16-19-10-6-12-21-20-11-5-4-9-18(20)15-22(19)21/h1-14H,15-16H2
InChIKeyZJXDUHYLLJZVTR-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.01
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

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
2-(9H-fluoren-1-yl)acetamide
CID 22939017
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
9H-fluoren-1-ylmethyl nitrate
CID 174713486
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
CID 175026134
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate?
The IUPAC name of 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate (CID 152662857) is 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate?
The canonical SMILES for 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate?
The InChIKey is ZJXDUHYLLJZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-23(14-13-17-7-2-1-3-8-17)25-16-19-10-6-12-21-20-11-5-4-9-18(20)15-22(19)21/h1-14H,15-16H2.
What are the key properties of 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate?
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 152662857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).