2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one

C16H14O3 — CID 141161669

IUPAC2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one
SMILESC=C(O)C(=O)c1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)19-15-6-4-3-5-14(15)16(18)12(2)17/h3-10,17H,2H2,1H3
InChIKeyLQMZPRCYUNVVHL-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.04
Rot. Bonds4

About 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one

2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one (PubChem CID 141161669) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one
PubChem CID141161669
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one
SMILESC=C(O)C(=O)c1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)19-15-6-4-3-5-14(15)16(18)12(2)17/h3-10,17H,2H2,1H3
InChIKeyLQMZPRCYUNVVHL-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
2-phenoxybenzoyl cyanide;toluene
CID 175229842
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
2-(4-phenoxyphenoxy)benzoate
CID 6946814
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
(E)-2-methyl-3-[1-(2-phenoxyphenyl)ethenylsulfanyl]prop-2-enoic acid
CID 155718826
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one (CID 141161669) is 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one is C=C(O)C(=O)c1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one?
The InChIKey is LQMZPRCYUNVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)19-15-6-4-3-5-14(15)16(18)12(2)17/h3-10,17H,2H2,1H3.
What are the key properties of 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one?
2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one has a molecular weight of 254.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(4-methylphenoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 141161669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).