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

C29H22O3 — CID 155279972

IUPAC[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H22O3/c1-3-28(30)32-23-18-14-21(15-19-23)29(20-12-16-22(31-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h3-19H,1H2,2H3
InChIKeyNKJLEWNBNGNPQQ-UHFFFAOYSA-N
MW418.49 g/mol
LogP6.15
Rot. Bonds5

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

[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (PubChem CID 155279972) has the molecular formula C29H22O3 and a molecular weight of 418.49 g/mol. Its IUPAC name is [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
PubChem CID155279972
Molecular FormulaC29H22O3
Molecular Weight418.49 g/mol
Exact Mass418.16
IUPAC Name[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H22O3/c1-3-28(30)32-23-18-14-21(15-19-23)29(20-12-16-22(31-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h3-19H,1H2,2H3
InChIKeyNKJLEWNBNGNPQQ-UHFFFAOYSA-N
XLogP6.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 56.15
H-Bond Donors ≤ 50
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-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3-acetylbenzoate
CID 58943087
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
CID 91347944
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516

Frequently Asked Questions

What is the IUPAC name of [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The IUPAC name of [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate (CID 155279972) is [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
The InChIKey is NKJLEWNBNGNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O3/c1-3-28(30)32-23-18-14-21(15-19-23)29(20-12-16-22(31-2)17-13-20)26-10-6-4-8-24(26)25-9-5-7-11-27(25)29/h3-19H,1H2,2H3.
What are the key properties of [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate?
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate has a molecular weight of 418.49 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate is sourced from PubChem (CID 155279972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).