[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate

C26H24O5 — CID 2095942

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1OC
InChIInChI=1S/C26H24O5/c1-3-12-30-24-11-10-20(15-25(24)29-2)26(28)31-16-23(27)19-9-8-18-13-17-6-4-5-7-21(17)22(18)14-19/h4-11,14-15H,3,12-13,16H2,1-2H3
InChIKeyDIJWEFDWHCWGJY-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.09
Rot. Bonds8

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate (PubChem CID 2095942) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
PubChem CID2095942
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1OC
InChIInChI=1S/C26H24O5/c1-3-12-30-24-11-10-20(15-25(24)29-2)26(28)31-16-23(27)19-9-8-18-13-17-6-4-5-7-21(17)22(18)14-19/h4-11,14-15H,3,12-13,16H2,1-2H3
InChIKeyDIJWEFDWHCWGJY-UHFFFAOYSA-N
XLogP5.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2102172
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-cyanobenzoate
CID 29183065
[2-oxo-2-(4-phenylphenyl)ethyl] 4-butoxy-3-methoxybenzoate
CID 5183525
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416087
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate (CID 2095942) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1OC.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
The InChIKey is DIJWEFDWHCWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-3-12-30-24-11-10-20(15-25(24)29-2)26(28)31-16-23(27)19-9-8-18-13-17-6-4-5-7-21(17)22(18)14-19/h4-11,14-15H,3,12-13,16H2,1-2H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate has a molecular weight of 416.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate is sourced from PubChem (CID 2095942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).