4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene

C16H22O — CID 134553642

IUPAC4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
SMILESCc1ccc([C@H](C)C2CC2)cc1OCC1CC1
InChIInChI=1S/C16H22O/c1-11-3-6-15(12(2)14-7-8-14)9-16(11)17-10-13-4-5-13/h3,6,9,12-14H,4-5,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyIEXYMLOWKMOWLO-GFCCVEGCSA-N
MW230.35 g/mol
LogP4.30
Rot. Bonds5

About 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene

4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene (PubChem CID 134553642) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
PubChem CID134553642
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
SMILESCc1ccc([C@H](C)C2CC2)cc1OCC1CC1
InChIInChI=1S/C16H22O/c1-11-3-6-15(12(2)14-7-8-14)9-16(11)17-10-13-4-5-13/h3,6,9,12-14H,4-5,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyIEXYMLOWKMOWLO-GFCCVEGCSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
(1S)-1-[4-methyl-3-[(2-methylcyclopropyl)methoxy]phenyl]ethanamine
CID 155370336

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene?
The IUPAC name of 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene (CID 134553642) is 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene.
What is the SMILES notation for 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene?
The canonical SMILES for 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene is Cc1ccc([C@H](C)C2CC2)cc1OCC1CC1.
What is the InChIKey of 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene?
The InChIKey is IEXYMLOWKMOWLO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22O/c1-11-3-6-15(12(2)14-7-8-14)9-16(11)17-10-13-4-5-13/h3,6,9,12-14H,4-5,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene?
4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene is sourced from PubChem (CID 134553642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).