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

C23H18O2 — CID 91551203

IUPAC9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O2/c24-23(15-14-17-8-2-1-3-9-17)25-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-15,22H,16H2
InChIKeyKFSHYZVXWMIYET-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.06
Rot. Bonds4

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

9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate (PubChem CID 91551203) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
PubChem CID91551203
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18O2/c24-23(15-14-17-8-2-1-3-9-17)25-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-15,22H,16H2
InChIKeyKFSHYZVXWMIYET-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
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

2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
CID 164579750
[(1S,3R)-2,2-dichloro-3-[[(E)-3-phenylprop-2-enoyl]oxymethyl]cyclopropyl]methyl (E)-3-phenylprop-2-enoate
CID 7897041
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
CID 66896982
oxan-2-ylmethyl 3-phenylprop-2-enoate
CID 73083639
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
amino 3-phenylprop-2-enoate
CID 67189797
3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-phenylhex-5-enoic acid
CID 53398005
9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
CID 89199392

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate (CID 91551203) is 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate?
The InChIKey is KFSHYZVXWMIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-23(15-14-17-8-2-1-3-9-17)25-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-15,22H,16H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate?
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate has a molecular weight of 326.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 91551203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).