cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile

C18H16ClNO — CID 71526849

IUPACcis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2ccc(Cl)cc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C18H16ClNO/c19-17-8-6-15(7-9-17)18(13-20)10-16(18)12-21-11-14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-,18+/m1/s1
InChIKeyUYSDMCYAOVUGOG-AEFFLSMTSA-N
MW297.79 g/mol
LogP4.34
Rot. Bonds5

About cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile

cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile (PubChem CID 71526849) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
PubChem CID71526849
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Namecis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
SMILESN#C[C@]1(c2ccc(Cl)cc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C18H16ClNO/c19-17-8-6-15(7-9-17)18(13-20)10-16(18)12-21-11-14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-,18+/m1/s1
InChIKeyUYSDMCYAOVUGOG-AEFFLSMTSA-N
XLogP4.34
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile (CID 71526849) is cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile is N#C[C@]1(c2ccc(Cl)cc2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is UYSDMCYAOVUGOG-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-17-8-6-15(7-9-17)18(13-20)10-16(18)12-21-11-14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-,18+/m1/s1.
What are the key properties of cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile?
cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 71526849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).