2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid

C20H20O5 — CID 70268777

IUPAC2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(OCCO)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3.C4H6O2/c17-9-10-19-16(18)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-3(2)4(5)6/h1-8,15,17H,9-10H2;1H2,2H3,(H,5,6)
InChIKeyIYMKCCGQOWPUFM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds4

About 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid

2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid (PubChem CID 70268777) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
PubChem CID70268777
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(OCCO)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3.C4H6O2/c17-9-10-19-16(18)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-3(2)4(5)6/h1-8,15,17H,9-10H2;1H2,2H3,(H,5,6)
InChIKeyIYMKCCGQOWPUFM-UHFFFAOYSA-N
XLogP2.98
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
biphenylene;2-methylprop-2-enoic acid
CID 174864090
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
CID 23621651
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
CID 138400608
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 57249723
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
1-azulen-1-ylazulene;2-methylprop-2-enoic acid
CID 175754594
1-(2-methylprop-2-enoyloxy)-9H-fluorene-9-carboxylic acid
CID 123912844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid?
The IUPAC name of 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid (CID 70268777) is 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.O=C(OCCO)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid?
The InChIKey is IYMKCCGQOWPUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.C4H6O2/c17-9-10-19-16(18)15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-3(2)4(5)6/h1-8,15,17H,9-10H2;1H2,2H3,(H,5,6).
What are the key properties of 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid?
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid is sourced from PubChem (CID 70268777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).