2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid

C17H13NO7 — CID 3506204

IUPAC2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
InChIKeyVOKATEXROYSXDW-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.82
Rot. Bonds6

About 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid

2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid (PubChem CID 3506204) has the molecular formula C17H13NO7 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
PubChem CID3506204
Molecular FormulaC17H13NO7
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
InChIKeyVOKATEXROYSXDW-UHFFFAOYSA-N
XLogP1.82
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, ((2,3-dihydro-1H-inden-5-yl)oxy)-
CID 15878
2,7-Dimethoxy-9H-fluoren-9-one oxime
CID 620461
9H-Fluoren-9-one, 2,7-bis(2-propenyloxy)-, oxime
CID 3945141
2-[[5-[2-(Benzhydrylideneamino)oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 118727316
[5-(2-Benzhydrylideneaminooxy-ethyl)-5,6,7,8-tetrahydro-naphthalen-1-yloxy]-acetic acid
CID 9823958
2-[(3E)-5-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]-3-methoxyimino-1,2-dihydroinden-1-yl]acetic acid
CID 145973686
2-(9H-fluoren-2-yloxy)acetic acid
CID 44386798
2-[[7-(carboxymethoxy)-9-nitroso-9H-fluoren-2-yl]oxy]acetic acid
CID 91895909
9-Oximino-2,7-diethoxyfluorene
CID 547102
(9-Hydroxyimino-7-methoxycarbonylmethoxy-9H-fluoren-2-yloxy)-acetic acid, methyl ester
CID 1547777
(6-Benzhydrylideneaminooxymethyl-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid
CID 44267244
2,7-Dibutoxy-fluoren-9-one oxime
CID 6426424

Frequently Asked Questions

What is the IUPAC name of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The IUPAC name of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid (CID 3506204) is 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The canonical SMILES for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid is O=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2.
What is the InChIKey of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The InChIKey is VOKATEXROYSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid has a molecular weight of 343.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid is sourced from PubChem (CID 3506204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).