2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid

C24H20O3 — CID 150361087

IUPAC2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
SMILESO=C(O)C(=CCCOc1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C24H20O3/c25-24(26)22(14-7-15-27-18-9-2-1-3-10-18)21-13-6-12-20-19-11-5-4-8-17(19)16-23(20)21/h1-6,8-14H,7,15-16H2,(H,25,26)
InChIKeyGVSNGWDERHCWSI-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.19
Rot. Bonds6

About 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid

2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid (PubChem CID 150361087) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
PubChem CID150361087
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid
SMILESO=C(O)C(=CCCOc1ccccc1)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C24H20O3/c25-24(26)22(14-7-15-27-18-9-2-1-3-10-18)21-13-6-12-20-19-11-5-4-8-17(19)16-23(20)21/h1-6,8-14H,7,15-16H2,(H,25,26)
InChIKeyGVSNGWDERHCWSI-UHFFFAOYSA-N
XLogP5.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yl)hex-2-enoic acid
CID 150307642
1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
9H-fluorene-1-carboxamide
CID 18474131
10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
CID 150960043
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
3-[3-[2-(9H-fluoren-1-yl)prop-1-enoxy]propyl]phthalic acid
CID 150629934
2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid?
The IUPAC name of 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid (CID 150361087) is 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid?
The canonical SMILES for 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid is O=C(O)C(=CCCOc1ccccc1)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid?
The InChIKey is GVSNGWDERHCWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c25-24(26)22(14-7-15-27-18-9-2-1-3-10-18)21-13-6-12-20-19-11-5-4-8-17(19)16-23(20)21/h1-6,8-14H,7,15-16H2,(H,25,26).
What are the key properties of 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid?
2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid has a molecular weight of 356.42 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-5-phenoxypent-2-enoic acid is sourced from PubChem (CID 150361087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).