1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene

C18H20O2 — CID 778703

IUPAC1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
SMILESCOc1ccc([C@@H]2C[C@@]2(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O2/c1-18(14-6-10-16(20-3)11-7-14)12-17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,12H2,1-3H3/t17-,18-/m0/s1
InChIKeyCRYVRIAEQYKJHB-ROUUACIJSA-N
MW268.36 g/mol
LogP4.15
Rot. Bonds4

About 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene

1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene (PubChem CID 778703) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
PubChem CID778703
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
SMILESCOc1ccc([C@@H]2C[C@@]2(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O2/c1-18(14-6-10-16(20-3)11-7-14)12-17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,12H2,1-3H3/t17-,18-/m0/s1
InChIKeyCRYVRIAEQYKJHB-ROUUACIJSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
1-methoxy-4-[2-(4-methoxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]benzene
CID 167011620
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
1-methoxy-4-[(1S,2R)-2-[(1R,2S)-2-(4-methoxyphenyl)-1-nitrocyclopropyl]-2-nitrocyclopropyl]benzene
CID 101168610
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene?
The IUPAC name of 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene (CID 778703) is 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene is COc1ccc([C@@H]2C[C@@]2(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene?
The InChIKey is CRYVRIAEQYKJHB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(14-6-10-16(20-3)11-7-14)12-17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,12H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene?
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene is sourced from PubChem (CID 778703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).