(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone

Name: (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₀O₂ — CID 116706943

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone

SMILESCOC1(C(=O)c2cc(C)c(C)cc2C)CCC1

InChIInChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3

InChIKeyPAFJVEGNMCRHSD-UHFFFAOYSA-N

MW232.32 g/mol

LogP3.36

Rot. Bonds3

About (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone

(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 116706943) has the molecular formula C₁₅H₂₀O₂ and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name	(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID	116706943
Molecular Formula	C₁₅H₂₀O₂
Molecular Weight	232.32 g/mol
Exact Mass	232.15
IUPAC Name	(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
SMILES	COC1(C(=O)c2cc(C)c(C)cc2C)CCC1
InChI	InChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3
InChIKey	PAFJVEGNMCRHSD-UHFFFAOYSA-N
XLogP	3.36
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.32
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?

The IUPAC name of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone (CID 116706943) is (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone.

What is the SMILES notation for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?

The canonical SMILES for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone is COC1(C(=O)c2cc(C)c(C)cc2C)CCC1.

What is the InChIKey of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?

The InChIKey is PAFJVEGNMCRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3.

What are the key properties of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?

(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116706943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116706943 — identifiers, structure, computed properties (public domain)

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