1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane

C22H34O4 — CID 91530216

IUPAC1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane
SMILESCCC.CCC.CCCOO.O=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O2.C3H8O2.2C3H8/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-2-3-5-4;2*1-3-2/h1-9,14H;4H,2-3H2,1H3;2*3H2,1-2H3
InChIKeyGJCQLIBJYPZTAN-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.34
Rot. Bonds4

About 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane

1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane (PubChem CID 91530216) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane.

Molecular Properties

Compound Name1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane
PubChem CID91530216
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane
SMILESCCC.CCC.CCCOO.O=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10O2.C3H8O2.2C3H8/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-2-3-5-4;2*1-3-2/h1-9,14H;4H,2-3H2,1H3;2*3H2,1-2H3
InChIKeyGJCQLIBJYPZTAN-UHFFFAOYSA-N
XLogP6.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
benzenecarboperoxoic acid;propane
CID 87106834
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
(2-hydroxy-3-octoxyphenyl)-phenylmethanone
CID 18769406
(3-decoxy-2-hydroxyphenyl)-phenylmethanone
CID 19898473
[4-(2-hydroxyethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 139738783
(5-bromo-4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 154087814
(2-hydroxy-4-octylperoxyphenyl)-phenylmethanone
CID 152720856

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane?
The IUPAC name of 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane (CID 91530216) is 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane.
What is the SMILES notation for 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane?
The canonical SMILES for 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane is CCC.CCC.CCCOO.O=C(c1ccccc1)c1ccccc1O.
What is the InChIKey of 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane?
The InChIKey is GJCQLIBJYPZTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C3H8O2.2C3H8/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-2-3-5-4;2*1-3-2/h1-9,14H;4H,2-3H2,1H3;2*3H2,1-2H3.
What are the key properties of 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane?
1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane has a molecular weight of 362.51 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxypropane;(2-hydroxyphenyl)-phenylmethanone;propane is sourced from PubChem (CID 91530216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).