[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone

C17H16O3 — CID 144654455

IUPAC[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
SMILESC=C(C)C(O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11,17,19H,1H2,2H3
InChIKeyUMJJHGOUZVUCCL-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.19
Rot. Bonds5

About [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone

[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone (PubChem CID 144654455) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
PubChem CID144654455
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone
SMILESC=C(C)C(O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11,17,19H,1H2,2H3
InChIKeyUMJJHGOUZVUCCL-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1-hydroxy-2-methylprop-2-enoxy)benzoyl]benzenesulfonic acid
CID 126611596
sodium [4-[(4-benzoylphenoxy)-methylphosphoryl]oxyphenyl]-phenylmethanone
CID 157398737
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
[4-[4-[5-(1-hydroxyethoxy)-2-[4-(1-hydroxyethoxy)phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]-phenylmethanone
CID 139748100
2-methylprop-2-enoic acid;1-phenoxyethanol
CID 67581727
[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 169225827
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
[2,4-bis(prop-1-en-2-yloxy)phenyl]-phenylmethanone
CID 22935826
butane-2,3-diol;diphenylmethanone
CID 175235923
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
(4-benzoylphenyl) (2S)-2-amino-3-methylbutanoate
CID 11022873

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone (CID 144654455) is [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone is C=C(C)C(O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone?
The InChIKey is UMJJHGOUZVUCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(2)17(19)20-15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11,17,19H,1H2,2H3.
What are the key properties of [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone?
[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone has a molecular weight of 268.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 144654455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).