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

C18H26O2 — CID 116748095

IUPAC(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C18H26O2/c1-17(2,3)15-10-8-14(9-11-15)16(19)18(20-4)12-6-5-7-13-18/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQYJAFQQBPQJTGQ-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.52
Rot. Bonds3

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

(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone (PubChem CID 116748095) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
PubChem CID116748095
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/C18H26O2/c1-17(2,3)15-10-8-14(9-11-15)16(19)18(20-4)12-6-5-7-13-18/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQYJAFQQBPQJTGQ-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
1-(4-tert-butylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921808
[1-(4-methoxybenzoyl)cyclohexyl] formate
CID 87509300
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone (CID 116748095) is (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone is COC1(C(=O)c2ccc(C(C)(C)C)cc2)CCCCC1.
What is the InChIKey of (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone?
The InChIKey is QYJAFQQBPQJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-17(2,3)15-10-8-14(9-11-15)16(19)18(20-4)12-6-5-7-13-18/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone?
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.52, 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-methoxycyclohexyl)methanone is sourced from PubChem (CID 116748095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).