methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate

C21H22O4 — CID 11359686

IUPACmethyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O4/c1-24-19(22)11-13-21(14-12-20(23)25-2)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10H,11-14H2,1-2H3
InChIKeyUNBRVUTVKZVUGM-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.86
Rot. Bonds6

About methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate

methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate (PubChem CID 11359686) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
PubChem CID11359686
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Namemethyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O4/c1-24-19(22)11-13-21(14-12-20(23)25-2)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10H,11-14H2,1-2H3
InChIKeyUNBRVUTVKZVUGM-UHFFFAOYSA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 74809
CID 74809
CID 94852
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CID 20477
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CID 33767
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CID 251957
CID 251957
CID 44276559
CID 44276559
CID 44332279
CID 44332279
CID 232396
CID 232396
CID 3054945
CID 3054945
CID 3055290
CID 3055290
CID 3839612
CID 3839612
CID 754873
CID 754873

Frequently Asked Questions

What is the IUPAC name of methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?
The IUPAC name of methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate (CID 11359686) is methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate.
What is the SMILES notation for methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?
The canonical SMILES for methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate is COC(=O)CCC1(CCC(=O)OC)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?
The InChIKey is UNBRVUTVKZVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-24-19(22)11-13-21(14-12-20(23)25-2)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-10H,11-14H2,1-2H3.
What are the key properties of methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?
methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate has a molecular weight of 338.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate is sourced from PubChem (CID 11359686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).