1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone

C18H18O2 — CID 59016188

IUPAC1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C18H18O2/c1-14(19)18(11-12-18)16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyYQRIWPUMSXHLMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.89
Rot. Bonds5

About 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone

1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone (PubChem CID 59016188) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
PubChem CID59016188
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C18H18O2/c1-14(19)18(11-12-18)16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyYQRIWPUMSXHLMM-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
4-phenylmethoxybenzoic acid
CID 68896574
benzyl 1-[4-(fluoromethoxy)phenyl]cyclopentane-1-carboxylate
CID 142504088
CID 101083627
CID 101083627
methyl 1-[4-[[3-[hydroxy(phenyl)methyl]phenoxy]methyl]phenyl]cyclopropane-1-carboxylate
CID 71113166
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone (CID 59016188) is 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone is CC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone?
The InChIKey is YQRIWPUMSXHLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-14(19)18(11-12-18)16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone?
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 59016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).