1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone

C14H18O3 — CID 131961467

IUPAC1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
SMILESCOC1(COc2ccc(C(C)=O)cc2)CCC1
InChIInChI=1S/C14H18O3/c1-11(15)12-4-6-13(7-5-12)17-10-14(16-2)8-3-9-14/h4-7H,3,8-10H2,1-2H3
InChIKeyMZKIRJZGPUSHKD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone

1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone (PubChem CID 131961467) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
PubChem CID131961467
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
SMILESCOC1(COc2ccc(C(C)=O)cc2)CCC1
InChIInChI=1S/C14H18O3/c1-11(15)12-4-6-13(7-5-12)17-10-14(16-2)8-3-9-14/h4-7H,3,8-10H2,1-2H3
InChIKeyMZKIRJZGPUSHKD-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
CID 65001694
4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497097
1-[4-[[4-(bromomethyl)oxan-4-yl]methoxy]phenyl]ethanone
CID 65004372
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine
CID 170640354
1-[4-(iodomethoxy)phenyl]ethanone
CID 118233287
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone (CID 131961467) is 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone is COC1(COc2ccc(C(C)=O)cc2)CCC1.
What is the InChIKey of 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone?
The InChIKey is MZKIRJZGPUSHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11(15)12-4-6-13(7-5-12)17-10-14(16-2)8-3-9-14/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone?
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 131961467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).