1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene

C17H26O — CID 118951939

IUPAC1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
SMILESCCOc1c(C(C)C)cccc1[C@H](C)C1CCC1
InChIInChI=1S/C17H26O/c1-5-18-17-15(12(2)3)10-7-11-16(17)13(4)14-8-6-9-14/h7,10-14H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyRCLCPGMNFZZJKR-CYBMUJFWSA-N
MW246.39 g/mol
LogP5.11
Rot. Bonds5

About 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene

1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene (PubChem CID 118951939) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
PubChem CID118951939
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
SMILESCCOc1c(C(C)C)cccc1[C@H](C)C1CCC1
InChIInChI=1S/C17H26O/c1-5-18-17-15(12(2)3)10-7-11-16(17)13(4)14-8-6-9-14/h7,10-14H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyRCLCPGMNFZZJKR-CYBMUJFWSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene?
The IUPAC name of 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene (CID 118951939) is 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene.
What is the SMILES notation for 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene?
The canonical SMILES for 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene is CCOc1c(C(C)C)cccc1[C@H](C)C1CCC1.
What is the InChIKey of 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene?
The InChIKey is RCLCPGMNFZZJKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26O/c1-5-18-17-15(12(2)3)10-7-11-16(17)13(4)14-8-6-9-14/h7,10-14H,5-6,8-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene?
1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene has a molecular weight of 246.39 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 118951939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).