(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one

C14H18O2 — CID 103454235

IUPAC(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H18O2/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h5-11H,4H2,1-3H3/b9-5+
InChIKeyFUOOCZURDGVQGN-WEVVVXLNSA-N
MW218.30 g/mol
LogP3.62
Rot. Bonds5

About (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one

(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one (PubChem CID 103454235) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
PubChem CID103454235
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H18O2/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h5-11H,4H2,1-3H3/b9-5+
InChIKeyFUOOCZURDGVQGN-WEVVVXLNSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-1-(2-propan-2-yloxyphenyl)ethanone
CID 91538765
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
propyl 2-propan-2-yloxybenzoate
CID 82186328
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686
(E)-1-(2-methoxyphenyl)hept-2-en-1-one
CID 19567082
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
4-hydroxy-2-oxo-4-(2-propan-2-yloxyphenyl)but-3-enoic acid
CID 75313132
(Z)-1-phenylpent-2-en-1-one
CID 91998885

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one?
The IUPAC name of (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one (CID 103454235) is (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one?
The canonical SMILES for (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one is CC/C=C/C(=O)c1ccccc1OC(C)C.
What is the InChIKey of (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one?
The InChIKey is FUOOCZURDGVQGN-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h5-11H,4H2,1-3H3/b9-5+.
What are the key properties of (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one?
(E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-propan-2-yloxyphenyl)pent-2-en-1-one is sourced from PubChem (CID 103454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).