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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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).