ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate

C19H17FO2 — CID 54234505

IUPACethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2c(c1)CCc1cc(F)ccc1-2
InChIInChI=1S/C19H17FO2/c1-2-22-19(21)10-4-13-3-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h3-4,7-12H,2,5-6H2,1H3
InChIKeyQLPAEYKTJCJPCH-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.17
Rot. Bonds3

About ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate

ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate (PubChem CID 54234505) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
PubChem CID54234505
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Nameethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2c(c1)CCc1cc(F)ccc1-2
InChIInChI=1S/C19H17FO2/c1-2-22-19(21)10-4-13-3-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h3-4,7-12H,2,5-6H2,1H3
InChIKeyQLPAEYKTJCJPCH-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-[2-(2,4-difluoroanilino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
CID 71625074
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (E)-3-[3-(2-ethoxy-2-oxoethyl)-4-fluorophenyl]prop-2-enoate
CID 135031086
methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxycarbonylphenyl]benzoate
CID 10528197
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207
ethyl 3-(1,3-dioxoisoindol-5-yl)prop-2-enoate
CID 169480926
[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-fluorophenyl]boronic acid
CID 53216516
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67782323
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate (CID 54234505) is ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc2c(c1)CCc1cc(F)ccc1-2.
What is the InChIKey of ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate?
The InChIKey is QLPAEYKTJCJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2/c1-2-22-19(21)10-4-13-3-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h3-4,7-12H,2,5-6H2,1H3.
What are the key properties of ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate?
ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate has a molecular weight of 296.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate is sourced from PubChem (CID 54234505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).