3-(7-fluorophenanthren-2-yl)prop-2-enoic acid

C17H11FO2 — CID 54156492

IUPAC3-(7-fluorophenanthren-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc2c(ccc3cc(F)ccc32)c1
InChIInChI=1S/C17H11FO2/c18-14-5-7-16-13(10-14)4-3-12-9-11(1-6-15(12)16)2-8-17(19)20/h1-10H,(H,19,20)
InChIKeyOLKWTIKRWBGCAT-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.23
Rot. Bonds2

About 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid

3-(7-fluorophenanthren-2-yl)prop-2-enoic acid (PubChem CID 54156492) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(7-fluorophenanthren-2-yl)prop-2-enoic acid
PubChem CID54156492
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name3-(7-fluorophenanthren-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc2c(ccc3cc(F)ccc32)c1
InChIInChI=1S/C17H11FO2/c18-14-5-7-16-13(10-14)4-3-12-9-11(1-6-15(12)16)2-8-17(19)20/h1-10H,(H,19,20)
InChIKeyOLKWTIKRWBGCAT-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-formyl-6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 88947361
6-[(E)-2-carboxyethenyl]naphthalen-2-olate
CID 54710469
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 116866093
(E)-3-(5-formyl-6-methoxynaphthalen-2-yl)prop-2-enoic acid
CID 155369741
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]phenyl]prop-2-enoic acid
CID 150662250
(E)-3-(4-fluoro-3-iodophenyl)prop-2-enoic acid
CID 91757423
(E)-3-(7-fluoroisoquinolin-1-yl)prop-2-enoic acid
CID 82580117
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
(E)-3-(7-fluoroquinolin-2-yl)prop-2-enoic acid
CID 82241904
2-[[(E)-3-(6-fluoronaphthalen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 22724720
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enoic acid
CID 71362115

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid (CID 54156492) is 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid is O=C(O)C=Cc1ccc2c(ccc3cc(F)ccc32)c1.
What is the InChIKey of 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid?
The InChIKey is OLKWTIKRWBGCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-14-5-7-16-13(10-14)4-3-12-9-11(1-6-15(12)16)2-8-17(19)20/h1-10H,(H,19,20).
What are the key properties of 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid?
3-(7-fluorophenanthren-2-yl)prop-2-enoic acid has a molecular weight of 266.27 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluorophenanthren-2-yl)prop-2-enoic acid is sourced from PubChem (CID 54156492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).