[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate

C28H20O3 — CID 89273761

IUPAC[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H20O3/c1-2-27(30)31-22-17-13-20(14-18-22)28(19-11-15-21(29)16-12-19)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h2-18,29H,1H2
InChIKeyQIMZOBIDFKJSOX-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.85
Rot. Bonds4

About [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate

[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (PubChem CID 89273761) has the molecular formula C28H20O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
PubChem CID89273761
Molecular FormulaC28H20O3
Molecular Weight404.47 g/mol
Exact Mass404.14
IUPAC Name[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H20O3/c1-2-27(30)31-22-17-13-20(14-18-22)28(19-11-15-21(29)16-12-19)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h2-18,29H,1H2
InChIKeyQIMZOBIDFKJSOX-UHFFFAOYSA-N
XLogP5.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
bis[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 146347020
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
2-O-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] 5-O-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 157291601
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
4-[9-[4-[(2E,4E)-6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 118229850
4-[9-[4-[6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 123766123
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245

Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The IUPAC name of [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (CID 89273761) is [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The InChIKey is QIMZOBIDFKJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O3/c1-2-27(30)31-22-17-13-20(14-18-22)28(19-11-15-21(29)16-12-19)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h2-18,29H,1H2.
What are the key properties of [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate has a molecular weight of 404.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 89273761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).