2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol

C32H30O6P2S — CID 142850472

IUPAC2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
SMILESCc1cc(S)cc(COP)c1OPOc1ccccc1-c1ccccc1O.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C20H20O4P2S.C12H10O2/c1-13-10-15(27)11-14(12-22-25)20(13)24-26-23-19-9-5-3-7-17(19)16-6-2-4-8-18(16)21;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2-11,21,26-27H,12,25H2,1H3;1-8,13-14H
InChIKeyBONQMUWECOBRCN-UHFFFAOYSA-N
MW604.60 g/mol
LogP8.69
Rot. Bonds8

About 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol

2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol (PubChem CID 142850472) has the molecular formula C32H30O6P2S and a molecular weight of 604.60 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
PubChem CID142850472
Molecular FormulaC32H30O6P2S
Molecular Weight604.60 g/mol
Exact Mass604.12
IUPAC Name2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
SMILESCc1cc(S)cc(COP)c1OPOc1ccccc1-c1ccccc1O.Oc1ccccc1-c1ccccc1O
InChIInChI=1S/C20H20O4P2S.C12H10O2/c1-13-10-15(27)11-14(12-22-25)20(13)24-26-23-19-9-5-3-7-17(19)16-6-2-4-8-18(16)21;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2-11,21,26-27H,12,25H2,1H3;1-8,13-14H
InChIKeyBONQMUWECOBRCN-UHFFFAOYSA-N
XLogP8.69
TPSA88.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.60
LogP ≤ 58.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
CID 142850473
2-[[2-(2-hydroxyphenyl)phenoxy]phosphanyloxymethyl]phenol
CID 142850467
[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane
CID 142850509
2-[2-[2-(2-hydroxyphenyl)propan-2-yloxyphosphanyloxy]phenyl]phenol
CID 142850685
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
[2-(2-hydroxyphenyl)phenyl] hypoiodite
CID 174339961
methyl-[2-(2-phosphanyloxyphenyl)phenoxy]phosphane
CID 21130910
5-chloro-2-(2-methoxyphenyl)-4-methylphenol
CID 39232302
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol?
The IUPAC name of 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol (CID 142850472) is 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol.
What is the SMILES notation for 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol?
The canonical SMILES for 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol is Cc1cc(S)cc(COP)c1OPOc1ccccc1-c1ccccc1O.Oc1ccccc1-c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol?
The InChIKey is BONQMUWECOBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4P2S.C12H10O2/c1-13-10-15(27)11-14(12-22-25)20(13)24-26-23-19-9-5-3-7-17(19)16-6-2-4-8-18(16)21;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2-11,21,26-27H,12,25H2,1H3;1-8,13-14H.
What are the key properties of 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol?
2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol has a molecular weight of 604.60 g/mol, XLogP of 8.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol is sourced from PubChem (CID 142850472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).