1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile

C18H25NO — CID 65016671

IUPAC1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)COc1ccc(C2(C#N)CC(C(C)C)C2)cc1
InChIInChI=1S/C18H25NO/c1-13(2)11-20-17-7-5-16(6-8-17)18(12-19)9-15(10-18)14(3)4/h5-8,13-15H,9-11H2,1-4H3
InChIKeyCSQBBRXWVWIKCQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.55
Rot. Bonds5

About 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile

1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile (PubChem CID 65016671) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
PubChem CID65016671
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
SMILESCC(C)COc1ccc(C2(C#N)CC(C(C)C)C2)cc1
InChIInChI=1S/C18H25NO/c1-13(2)11-20-17-7-5-16(6-8-17)18(12-19)9-15(10-18)14(3)4/h5-8,13-15H,9-11H2,1-4H3
InChIKeyCSQBBRXWVWIKCQ-UHFFFAOYSA-N
XLogP4.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
CID 28937692
1-(4-fluorophenyl)-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016673
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
[3-tert-butyl-1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 65016920
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
CID 54886210
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile (CID 65016671) is 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile is CC(C)COc1ccc(C2(C#N)CC(C(C)C)C2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile?
The InChIKey is CSQBBRXWVWIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)11-20-17-7-5-16(6-8-17)18(12-19)9-15(10-18)14(3)4/h5-8,13-15H,9-11H2,1-4H3.
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile?
1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile has a molecular weight of 271.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 65016671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).