4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene

C19H22O4 — CID 71406141

IUPAC4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
SMILESCOc1ccc([C@@H]2C[C@H]2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22O4/c1-20-16-7-5-12(9-18(16)22-3)14-11-15(14)13-6-8-17(21-2)19(10-13)23-4/h5-10,14-15H,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyKMAUYBXUTHVRNV-GJZGRUSLSA-N
MW314.38 g/mol
LogP3.99
Rot. Bonds6

About 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene

4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene (PubChem CID 71406141) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
PubChem CID71406141
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
SMILESCOc1ccc([C@@H]2C[C@H]2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22O4/c1-20-16-7-5-12(9-18(16)22-3)14-11-15(14)13-6-8-17(21-2)19(10-13)23-4/h5-10,14-15H,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyKMAUYBXUTHVRNV-GJZGRUSLSA-N
XLogP3.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
3-[2-(3,4-dimethoxyphenyl)cyclopropyl]-5-methylsulfanyl-1,2-oxazole
CID 15396635
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
(1S,4S,5S)-5-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-2-en-7-one
CID 11791406
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene (CID 71406141) is 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene is COc1ccc([C@@H]2C[C@H]2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene?
The InChIKey is KMAUYBXUTHVRNV-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H22O4/c1-20-16-7-5-12(9-18(16)22-3)14-11-15(14)13-6-8-17(21-2)19(10-13)23-4/h5-10,14-15H,11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene?
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene has a molecular weight of 314.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 71406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).