cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate

C25H24O4 — CID 101031556

IUPACcis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(OC)cc2)C[C@@]1(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H24O4/c1-27-21-13-9-19(10-14-21)24(18-7-5-4-6-8-18)17-25(24,23(26)29-3)20-11-15-22(28-2)16-12-20/h4-16H,17H2,1-3H3/t24-,25+/m1/s1
InChIKeyZNWHNYOWUAUHLW-RPBOFIJWSA-N
MW388.46 g/mol
LogP4.50
Rot. Bonds6

About cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate

cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 101031556) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID101031556
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Namecis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(OC)cc2)C[C@@]1(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H24O4/c1-27-21-13-9-19(10-14-21)24(18-7-5-4-6-8-18)17-25(24,23(26)29-3)20-11-15-22(28-2)16-12-20/h4-16H,17H2,1-3H3/t24-,25+/m1/s1
InChIKeyZNWHNYOWUAUHLW-RPBOFIJWSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
CID 162229405
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
dimethyl 4-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 67965844

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate (CID 101031556) is cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate is COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@@]1(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is ZNWHNYOWUAUHLW-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H24O4/c1-27-21-13-9-19(10-14-21)24(18-7-5-4-6-8-18)17-25(24,23(26)29-3)20-11-15-22(28-2)16-12-20/h4-16H,17H2,1-3H3/t24-,25+/m1/s1.
What are the key properties of cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate?
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 101031556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).