trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate

C19H20O3 — CID 162419234

IUPACtrans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2cc(C)ccc2OC)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20O3/c1-13-9-10-17(21-2)15(11-13)19(18(20)22-3)12-16(19)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3/t16-,19-/m1/s1
InChIKeyWWRRPTAFJWBUTR-VQIMIIECSA-N
MW296.37 g/mol
LogP3.60
Rot. Bonds4

About trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate

trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate (PubChem CID 162419234) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
PubChem CID162419234
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nametrans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2cc(C)ccc2OC)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H20O3/c1-13-9-10-17(21-2)15(11-13)19(18(20)22-3)12-16(19)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3/t16-,19-/m1/s1
InChIKeyWWRRPTAFJWBUTR-VQIMIIECSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
CID 177141348
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate
CID 11097247
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
CID 175762346
cis-dimethyl (1R,2S)-1-(2-bromo-4-methylphenyl)cyclopropane-1,2-dicarboxylate
CID 22825915

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate (CID 162419234) is trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate is COC(=O)[C@@]1(c2cc(C)ccc2OC)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate?
The InChIKey is WWRRPTAFJWBUTR-VQIMIIECSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-9-10-17(21-2)15(11-13)19(18(20)22-3)12-16(19)14-7-5-4-6-8-14/h4-11,16H,12H2,1-3H3/t16-,19-/m1/s1.
What are the key properties of trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 162419234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).