1-[4-(cyclobutylmethoxy)phenyl]propan-1-one

C14H18O2 — CID 65459422

IUPAC1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC2CCC2)cc1
InChIInChI=1S/C14H18O2/c1-2-14(15)12-6-8-13(9-7-12)16-10-11-4-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyCQSDOFPIGUCCJY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one

1-[4-(cyclobutylmethoxy)phenyl]propan-1-one (PubChem CID 65459422) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
PubChem CID65459422
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC2CCC2)cc1
InChIInChI=1S/C14H18O2/c1-2-14(15)12-6-8-13(9-7-12)16-10-11-4-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyCQSDOFPIGUCCJY-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[4-(3-chloropropyl)cyclohexyl]methoxy]phenyl]propan-1-one
CID 70445084
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
CID 61342447
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[4-[2-hydroxy-3-[3-(phenoxymethyl)piperidin-1-yl]propoxy]phenyl]propan-1-one
CID 86973070
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
1-[3-bromo-5-(cyclopropylmethoxy)phenyl]propan-1-one
CID 162239378
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one (CID 65459422) is 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one is CCC(=O)c1ccc(OCC2CCC2)cc1.
What is the InChIKey of 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one?
The InChIKey is CQSDOFPIGUCCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-14(15)12-6-8-13(9-7-12)16-10-11-4-3-5-11/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one?
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclobutylmethoxy)phenyl]propan-1-one is sourced from PubChem (CID 65459422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).