1-ethyl-9H-fluorene;prop-2-enoic acid

C18H18O2 — CID 175512160

IUPAC1-ethyl-9H-fluorene;prop-2-enoic acid
SMILESC=CC(=O)O.CCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H14.C3H4O2/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-3(4)5/h3-9H,2,10H2,1H3;2H,1H2,(H,4,5)
InChIKeyRLTNDAVGHTYMDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.08
Rot. Bonds2

About 1-ethyl-9H-fluorene;prop-2-enoic acid

1-ethyl-9H-fluorene;prop-2-enoic acid (PubChem CID 175512160) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-9H-fluorene;prop-2-enoic acid.

Molecular Properties

Compound Name1-ethyl-9H-fluorene;prop-2-enoic acid
PubChem CID175512160
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-ethyl-9H-fluorene;prop-2-enoic acid
SMILESC=CC(=O)O.CCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C15H14.C3H4O2/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-3(4)5/h3-9H,2,10H2,1H3;2H,1H2,(H,4,5)
InChIKeyRLTNDAVGHTYMDB-UHFFFAOYSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-9H-fluorene;propane
CID 167686584
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
ethyl N-(9H-fluoren-1-yl)carbamate;phenol;prop-2-enoic acid
CID 174058848
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
2-(9H-fluoren-1-yl)acetamide
CID 22939017
9H-fluoren-1-ol;prop-1-ene
CID 159607408
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9H-fluorene;prop-2-enoic acid?
The IUPAC name of 1-ethyl-9H-fluorene;prop-2-enoic acid (CID 175512160) is 1-ethyl-9H-fluorene;prop-2-enoic acid.
What is the SMILES notation for 1-ethyl-9H-fluorene;prop-2-enoic acid?
The canonical SMILES for 1-ethyl-9H-fluorene;prop-2-enoic acid is C=CC(=O)O.CCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-ethyl-9H-fluorene;prop-2-enoic acid?
The InChIKey is RLTNDAVGHTYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C3H4O2/c1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-3(4)5/h3-9H,2,10H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 1-ethyl-9H-fluorene;prop-2-enoic acid?
1-ethyl-9H-fluorene;prop-2-enoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9H-fluorene;prop-2-enoic acid is sourced from PubChem (CID 175512160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).