2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite

C20H31O5P — CID 162045826

IUPAC2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite
SMILESC.CCOP(OCC)OCC.Oc1ccccc1C(O)c1ccccc1
InChIInChI=1S/C13H12O2.C6H15O3P.CH4/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-4-7-10(8-5-2)9-6-3;/h1-9,13-15H;4-6H2,1-3H3;1H4
InChIKeyYXWIMTZUYMDXOY-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.43
Rot. Bonds8

About 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite

2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite (PubChem CID 162045826) has the molecular formula C20H31O5P and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite
PubChem CID162045826
Molecular FormulaC20H31O5P
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite
SMILESC.CCOP(OCC)OCC.Oc1ccccc1C(O)c1ccccc1
InChIInChI=1S/C13H12O2.C6H15O3P.CH4/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-4-7-10(8-5-2)9-6-3;/h1-9,13-15H;4-6H2,1-3H3;1H4
InChIKeyYXWIMTZUYMDXOY-UHFFFAOYSA-N
XLogP5.43
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
2-[hydroxy(pyridin-4-yl)methyl]phenol
CID 14937590
2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol
CID 171526563
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
2-(1-phenylpentyl)phenol
CID 19601156
4-fluoro-2-[hydroxy(phenyl)methyl]phenol
CID 83392868
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite?
The IUPAC name of 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite (CID 162045826) is 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite is C.CCOP(OCC)OCC.Oc1ccccc1C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite?
The InChIKey is YXWIMTZUYMDXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C6H15O3P.CH4/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;1-4-7-10(8-5-2)9-6-3;/h1-9,13-15H;4-6H2,1-3H3;1H4.
What are the key properties of 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite?
2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite has a molecular weight of 382.44 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]phenol;methane;triethyl phosphite is sourced from PubChem (CID 162045826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).