methyl 5-oxo-2,7-diphenylheptanoate

C20H22O3 — CID 177492008

IUPACmethyl 5-oxo-2,7-diphenylheptanoate
SMILESCOC(=O)C(CCC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-23-20(22)19(17-10-6-3-7-11-17)15-14-18(21)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3
InChIKeyNLGPLBLDHFADAP-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.93
Rot. Bonds8

About methyl 5-oxo-2,7-diphenylheptanoate

methyl 5-oxo-2,7-diphenylheptanoate (PubChem CID 177492008) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl 5-oxo-2,7-diphenylheptanoate.

Molecular Properties

Compound Namemethyl 5-oxo-2,7-diphenylheptanoate
PubChem CID177492008
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Namemethyl 5-oxo-2,7-diphenylheptanoate
SMILESCOC(=O)C(CCC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-23-20(22)19(17-10-6-3-7-11-17)15-14-18(21)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3
InChIKeyNLGPLBLDHFADAP-UHFFFAOYSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-oxo-2,7-diphenylheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 2-phenylheptanoate
CID 143443478
1-O-methyl 2-O-(3-oxo-5-phenylpentyl) oxalate
CID 139293115
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl 2-phenylhex-4-enoate
CID 141185877
8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
CID 167622753
methyl 3-benzylsulfinyl-2-phenylpropanoate
CID 64558852

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2,7-diphenylheptanoate?
The IUPAC name of methyl 5-oxo-2,7-diphenylheptanoate (CID 177492008) is methyl 5-oxo-2,7-diphenylheptanoate.
What is the SMILES notation for methyl 5-oxo-2,7-diphenylheptanoate?
The canonical SMILES for methyl 5-oxo-2,7-diphenylheptanoate is COC(=O)C(CCC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 5-oxo-2,7-diphenylheptanoate?
The InChIKey is NLGPLBLDHFADAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-23-20(22)19(17-10-6-3-7-11-17)15-14-18(21)13-12-16-8-4-2-5-9-16/h2-11,19H,12-15H2,1H3.
What are the key properties of methyl 5-oxo-2,7-diphenylheptanoate?
methyl 5-oxo-2,7-diphenylheptanoate has a molecular weight of 310.39 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,7-diphenylheptanoate is sourced from PubChem (CID 177492008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).