ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate

C23H22O2 — CID 166441673

IUPACethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(Cc2ccc3ccccc3c2)CC1c1ccccc1
InChIInChI=1S/C23H22O2/c1-2-25-22(24)23(16-21(23)19-9-4-3-5-10-19)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,21H,2,15-16H2,1H3/t21?,23-/m1/s1
InChIKeyQHBRXDBQZMBNOY-JFGZAKSSSA-N
MW330.43 g/mol
LogP5.12
Rot. Bonds5

About ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate

ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 166441673) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID166441673
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Nameethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(Cc2ccc3ccccc3c2)CC1c1ccccc1
InChIInChI=1S/C23H22O2/c1-2-25-22(24)23(16-21(23)19-9-4-3-5-10-19)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,21H,2,15-16H2,1H3/t21?,23-/m1/s1
InChIKeyQHBRXDBQZMBNOY-JFGZAKSSSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-hydroxy-3-(naphthalen-2-ylmethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978412
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
trans-ethyl (1R,2S)-2-naphthalen-2-yl-1-nitrocyclopropane-1-carboxylate
CID 134842345
ethyl (3R)-3-(naphthalen-2-ylmethyl)-1,1-dioxo-2H-1,2-benzothiazole-3-carboxylate
CID 155931701
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063
diethyl (3S,5R)-3,5-diphenylpyrrolidine-2,2-dicarboxylate
CID 70676422
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate (CID 166441673) is ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(Cc2ccc3ccccc3c2)CC1c1ccccc1.
What is the InChIKey of ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is QHBRXDBQZMBNOY-JFGZAKSSSA-N. The full InChI is InChI=1S/C23H22O2/c1-2-25-22(24)23(16-21(23)19-9-4-3-5-10-19)15-17-12-13-18-8-6-7-11-20(18)14-17/h3-14,21H,2,15-16H2,1H3/t21?,23-/m1/s1.
What are the key properties of ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate?
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 166441673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).