1-[3-(cyclopropylmethoxy)phenyl]butan-1-one

C14H18O2 — CID 155393071

IUPAC1-[3-(cyclopropylmethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H18O2/c1-2-4-14(15)12-5-3-6-13(9-12)16-10-11-7-8-11/h3,5-6,9,11H,2,4,7-8,10H2,1H3
InChIKeyFNNNSXXXCFSPNM-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.46
Rot. Bonds6

About 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one

1-[3-(cyclopropylmethoxy)phenyl]butan-1-one (PubChem CID 155393071) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)phenyl]butan-1-one
PubChem CID155393071
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[3-(cyclopropylmethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C14H18O2/c1-2-4-14(15)12-5-3-6-13(9-12)16-10-11-7-8-11/h3,5-6,9,11H,2,4,7-8,10H2,1H3
InChIKeyFNNNSXXXCFSPNM-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

3-amino-1-[3-[(4-hydroxycyclohexyl)methoxy]phenyl]propan-1-one
CID 168838033
1-[3-(cyclohexylmethoxy)phenyl]hexane-1,5-dione
CID 158607530
1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
CID 69097333
1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one
CID 69097313
(E)-1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine
CID 87693183
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
4-[3-(cyclohexylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 510663
(1S)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1R,2R)-1-[3-(cycloheptylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(cyclopentylmethoxy)phenyl]-2-methylbutan-1-ol;1-[3-(2-ethylbutoxy)phenyl]butan-1-one;(1R,2R)-1-[3-(2-ethylbutoxy)phenyl]-2-methylbutan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;1-[3-(2-propylpentoxy)phenyl]butan-1-one
CID 158616122
(3-butanoylphenyl) benzoate
CID 141249962
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one?
The IUPAC name of 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one (CID 155393071) is 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one is CCCC(=O)c1cccc(OCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one?
The InChIKey is FNNNSXXXCFSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-4-14(15)12-5-3-6-13(9-12)16-10-11-7-8-11/h3,5-6,9,11H,2,4,7-8,10H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one?
1-[3-(cyclopropylmethoxy)phenyl]butan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)phenyl]butan-1-one is sourced from PubChem (CID 155393071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).