4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene

C28H29O5P — CID 3052338

IUPAC4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H16O2.C13H13O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3-10,16-17H,1-2H3;2-11H,1H3
InChIKeyBGOVZUITOWENCB-UHFFFAOYSA-N
MW476.51 g/mol
LogP7.39
Rot. Bonds6

About 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene (PubChem CID 3052338) has the molecular formula C28H29O5P and a molecular weight of 476.51 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene
PubChem CID3052338
Molecular FormulaC28H29O5P
Molecular Weight476.51 g/mol
Exact Mass476.18
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C15H16O2.C13H13O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3-10,16-17H,1-2H3;2-11H,1H3
InChIKeyBGOVZUITOWENCB-UHFFFAOYSA-N
XLogP7.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene?
The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene (CID 3052338) is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene?
The InChIKey is BGOVZUITOWENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C13H13O3P/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h3-10,16-17H,1-2H3;2-11H,1H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene?
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene has a molecular weight of 476.51 g/mol, XLogP of 7.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[methyl(phenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 3052338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).