ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid

C18H23O4P — CID 87175840

IUPACethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H23O4P/c1-4-22-23(20,21)13-14-5-7-15(8-6-14)18(2,3)16-9-11-17(19)12-10-16/h5-12,19H,4,13H2,1-3H3,(H,20,21)
InChIKeyLHTODJVKYKVTDU-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.44
Rot. Bonds6

About ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid

ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid (PubChem CID 87175840) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
PubChem CID87175840
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Nameethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H23O4P/c1-4-22-23(20,21)13-14-5-7-15(8-6-14)18(2,3)16-9-11-17(19)12-10-16/h5-12,19H,4,13H2,1-3H3,(H,20,21)
InChIKeyLHTODJVKYKVTDU-UHFFFAOYSA-N
XLogP4.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
[4-[(4-butylphenyl)methyl]phenyl]methyl-ethoxyphosphinic acid
CID 87175618
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
[2-tert-butyl-2-[(4-hydroxyphenyl)methyl]-3,3-dimethylbutyl] ethyl hydrogen phosphate
CID 151528019
4-[4-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]sulfonylbenzoic acid
CID 87175689
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
[4-[2-(4-methoxycarbonylphenyl)propan-2-yl]phenyl]methylphosphonic acid
CID 66841765
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid (CID 87175840) is ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid is CCOP(=O)(O)Cc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid?
The InChIKey is LHTODJVKYKVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-4-22-23(20,21)13-14-5-7-15(8-6-14)18(2,3)16-9-11-17(19)12-10-16/h5-12,19H,4,13H2,1-3H3,(H,20,21).
What are the key properties of ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid?
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid has a molecular weight of 334.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid is sourced from PubChem (CID 87175840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).