(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone

C16H22O2 — CID 116706927

IUPAC(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C16H22O2/c1-15(2,3)13-8-6-12(7-9-13)14(17)16(18-4)10-5-11-16/h6-9H,5,10-11H2,1-4H3
InChIKeyANZHKDQQPRTDME-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.74
Rot. Bonds3

About (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone

(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone (PubChem CID 116706927) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
PubChem CID116706927
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCC1
InChIInChI=1S/C16H22O2/c1-15(2,3)13-8-6-12(7-9-13)14(17)16(18-4)10-5-11-16/h6-9H,5,10-11H2,1-4H3
InChIKeyANZHKDQQPRTDME-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
1-(4-tert-butylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921808
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
[1-(4-methoxybenzoyl)cyclohexyl] formate
CID 87509300
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone (CID 116706927) is (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone is COC1(C(=O)c2ccc(C(C)(C)C)cc2)CCC1.
What is the InChIKey of (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone?
The InChIKey is ANZHKDQQPRTDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2,3)13-8-6-12(7-9-13)14(17)16(18-4)10-5-11-16/h6-9H,5,10-11H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone?
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 116706927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).