methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate

C23H20O3 — CID 161270022

IUPACmethyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H20O3/c1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20-21H,12,14H2,1H3
InChIKeyTXQCZLJYZDFMMQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.54
Rot. Bonds5

About methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate

methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate (PubChem CID 161270022) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
PubChem CID161270022
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Namemethyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H20O3/c1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20-21H,12,14H2,1H3
InChIKeyTXQCZLJYZDFMMQ-UHFFFAOYSA-N
XLogP4.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methoxycarbonylcyclopropyl)benzoate
CID 175336180
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
ethane;methyl naphthalene-2-carboxylate
CID 143895262
N-[[4-(dimethylamino)phenyl]methyl]-3-[(1R,2R)-2-(2-isoquinolin-6-ylacetyl)cyclopropyl]benzamide
CID 157223690
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
2-naphthalen-2-yl-1-[(1R)-2-[4-(piperidin-4-ylmethylsulfonyl)phenyl]cyclopropyl]ethanone
CID 160700648
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
CID 114974399

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate?
The IUPAC name of methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate (CID 161270022) is methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate.
What is the SMILES notation for methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate?
The canonical SMILES for methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate is COC(=O)c1cccc(C2CC2C(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate?
The InChIKey is TXQCZLJYZDFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c1-26-23(25)19-8-4-7-18(13-19)20-14-21(20)22(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20-21H,12,14H2,1H3.
What are the key properties of methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate?
methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate has a molecular weight of 344.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate is sourced from PubChem (CID 161270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).