1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one

C28H20O2 — CID 175026134

IUPAC1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O
InChIInChI=1S/C28H20O2/c29-27(15-13-19-7-2-1-3-8-19)26-18-21(14-16-28(26)30)23-11-6-12-24-22-10-5-4-9-20(22)17-25(23)24/h1-16,18,30H,17H2
InChIKeyGTHODNBULJSYDC-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.53
Rot. Bonds4

About 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one

1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one (PubChem CID 175026134) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
PubChem CID175026134
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O
InChIInChI=1S/C28H20O2/c29-27(15-13-19-7-2-1-3-8-19)26-18-21(14-16-28(26)30)23-11-6-12-24-22-10-5-4-9-20(22)17-25(23)24/h1-16,18,30H,17H2
InChIKeyGTHODNBULJSYDC-UHFFFAOYSA-N
XLogP6.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one (CID 175026134) is 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cc(-c2cccc3c2Cc2ccccc2-3)ccc1O.
What is the InChIKey of 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
The InChIKey is GTHODNBULJSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2/c29-27(15-13-19-7-2-1-3-8-19)26-18-21(14-16-28(26)30)23-11-6-12-24-22-10-5-4-9-20(22)17-25(23)24/h1-16,18,30H,17H2.
What are the key properties of 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one?
1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one has a molecular weight of 388.47 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 175026134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).