methyl 2-(9H-fluoren-2-yl)propanoate

C17H16O2 — CID 14694112

IUPACmethyl 2-(9H-fluoren-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16O2/c1-11(17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16/h3-9,11H,10H2,1-2H3
InChIKeySNSUYAVLTVDCEA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.53
Rot. Bonds2

About methyl 2-(9H-fluoren-2-yl)propanoate

methyl 2-(9H-fluoren-2-yl)propanoate (PubChem CID 14694112) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-(9H-fluoren-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(9H-fluoren-2-yl)propanoate
PubChem CID14694112
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 2-(9H-fluoren-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16O2/c1-11(17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16/h3-9,11H,10H2,1-2H3
InChIKeySNSUYAVLTVDCEA-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68769
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CID 33767
Ethyl diphenylacetate
CID 226748

Frequently Asked Questions

What is the IUPAC name of methyl 2-(9H-fluoren-2-yl)propanoate?
The IUPAC name of methyl 2-(9H-fluoren-2-yl)propanoate (CID 14694112) is methyl 2-(9H-fluoren-2-yl)propanoate.
What is the SMILES notation for methyl 2-(9H-fluoren-2-yl)propanoate?
The canonical SMILES for methyl 2-(9H-fluoren-2-yl)propanoate is COC(=O)C(C)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of methyl 2-(9H-fluoren-2-yl)propanoate?
The InChIKey is SNSUYAVLTVDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11(17(18)19-2)12-7-8-16-14(9-12)10-13-5-3-4-6-15(13)16/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 2-(9H-fluoren-2-yl)propanoate?
methyl 2-(9H-fluoren-2-yl)propanoate has a molecular weight of 252.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9H-fluoren-2-yl)propanoate is sourced from PubChem (CID 14694112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).