1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene

C17H26O — CID 177122881

IUPAC1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene
SMILESCC(C)c1ccc(COC2CC(C(C)C)C2)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyZTZYEZRPNVNJLJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.76
Rot. Bonds5

About 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene

1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene (PubChem CID 177122881) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene
PubChem CID177122881
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene
SMILESCC(C)c1ccc(COC2CC(C(C)C)C2)cc1
InChIInChI=1S/C17H26O/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyZTZYEZRPNVNJLJ-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
(4-propan-2-ylphenyl)methyl nitrate
CID 14545608
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
2-methyl-1-[(4-propan-2-ylphenyl)methoxy]propan-2-amine
CID 64537588
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine
CID 82352700
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene?
The IUPAC name of 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene (CID 177122881) is 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene.
What is the SMILES notation for 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene?
The canonical SMILES for 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene is CC(C)c1ccc(COC2CC(C(C)C)C2)cc1.
What is the InChIKey of 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene?
The InChIKey is ZTZYEZRPNVNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(2)15-7-5-14(6-8-15)11-18-17-9-16(10-17)13(3)4/h5-8,12-13,16-17H,9-11H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene?
1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene has a molecular weight of 246.39 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(3-propan-2-ylcyclobutyl)oxymethyl]benzene is sourced from PubChem (CID 177122881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).