(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone

C16H12O3 — CID 46229706

IUPAC(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
InChIKeyTZKIHDJSIXVMIQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.64
Rot. Bonds4

About (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone

(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone (PubChem CID 46229706) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
PubChem CID46229706
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
SMILESC#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
InChIKeyTZKIHDJSIXVMIQ-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-iodopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 88929462
[4-(3-bromopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 53312176
[4-(ethoxymethyl)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 139459884
3-(4-prop-2-ynoxybenzoyl)benzoyl chloride
CID 170346190
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
[4-(4-hydroxybenzoyl)phenyl] hypoiodite
CID 142136796
[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 86044790
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
N'-amino-4-prop-2-ynoxybenzenecarboximidamide
CID 155727832
4-but-3-ynoxyphenol
CID 43143414

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone (CID 46229706) is (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone is C#CCOc1ccc(C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone?
The InChIKey is TZKIHDJSIXVMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2.
What are the key properties of (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone?
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone has a molecular weight of 252.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone is sourced from PubChem (CID 46229706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).