cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone

C21H26O3 — CID 143878278

IUPACcyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
SMILESC1CC1.COc1ccc(C(C)(C)c2ccc(O)c(C(C)=O)c2)cc1
InChIInChI=1S/C18H20O3.C3H6/c1-12(19)16-11-14(7-10-17(16)20)18(2,3)13-5-8-15(21-4)9-6-13;1-2-3-1/h5-11,20H,1-4H3;1-3H2
InChIKeyVQAYKAYUDVKVCI-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.10
Rot. Bonds4

About cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone

cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone (PubChem CID 143878278) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Namecyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
PubChem CID143878278
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Namecyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
SMILESC1CC1.COc1ccc(C(C)(C)c2ccc(O)c(C(C)=O)c2)cc1
InChIInChI=1S/C18H20O3.C3H6/c1-12(19)16-11-14(7-10-17(16)20)18(2,3)13-5-8-15(21-4)9-6-13;1-2-3-1/h5-11,20H,1-4H3;1-3H2
InChIKeyVQAYKAYUDVKVCI-UHFFFAOYSA-N
XLogP5.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone?
The IUPAC name of cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone (CID 143878278) is cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone.
What is the SMILES notation for cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone?
The canonical SMILES for cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone is C1CC1.COc1ccc(C(C)(C)c2ccc(O)c(C(C)=O)c2)cc1.
What is the InChIKey of cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone?
The InChIKey is VQAYKAYUDVKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3.C3H6/c1-12(19)16-11-14(7-10-17(16)20)18(2,3)13-5-8-15(21-4)9-6-13;1-2-3-1/h5-11,20H,1-4H3;1-3H2.
What are the key properties of cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone?
cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone is sourced from PubChem (CID 143878278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).