(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid

C16H12O2 — CID 102191450

IUPAC(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-10,15H,(H,17,18)/b10-9+
InChIKeyDJNLKSDTWKXPFW-MDZDMXLPSA-N
MW236.27 g/mol
LogP3.44
Rot. Bonds2

About (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid

(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid (PubChem CID 102191450) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
PubChem CID102191450
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H12O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-10,15H,(H,17,18)/b10-9+
InChIKeyDJNLKSDTWKXPFW-MDZDMXLPSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid (CID 102191450) is (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid is O=C(O)/C=C/C1c2ccccc2-c2ccccc21.
What is the InChIKey of (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid?
The InChIKey is DJNLKSDTWKXPFW-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12O2/c17-16(18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-10,15H,(H,17,18)/b10-9+.
What are the key properties of (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid?
(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid has a molecular weight of 236.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(9H-fluoren-9-yl)prop-2-enoic acid is sourced from PubChem (CID 102191450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).