ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol

C16H21O3P — CID 143639201

IUPACethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol
SMILESCC.Oc1ccc(CCc2ccc(O)c(P)c2O)cc1
InChIInChI=1S/C14H15O3P.C2H6/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17;1-2/h2-3,5-8,15-17H,1,4,18H2;1-2H3
InChIKeySKDKTHXIUKCKPW-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.12
Rot. Bonds3

About ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol

ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol (PubChem CID 143639201) has the molecular formula C16H21O3P and a molecular weight of 292.32 g/mol. Its IUPAC name is ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol.

Molecular Properties

Compound Nameethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol
PubChem CID143639201
Molecular FormulaC16H21O3P
Molecular Weight292.32 g/mol
Exact Mass292.12
IUPAC Nameethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol
SMILESCC.Oc1ccc(CCc2ccc(O)c(P)c2O)cc1
InChIInChI=1S/C14H15O3P.C2H6/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17;1-2/h2-3,5-8,15-17H,1,4,18H2;1-2H3
InChIKeySKDKTHXIUKCKPW-UHFFFAOYSA-N
XLogP3.12
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenyl)ethyl]benzene-1,2,3-triol
CID 46195675
4-[2-(2-bromophenyl)ethyl]phenol
CID 16638816
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
ethane;4-(phosphanylmethyl)phenol
CID 144577973
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]-3-methoxyphenyl]-2-methoxyphenyl]ethyl]phenol
CID 172870671
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
3-ethyl-4-[2-[6-[2-(4-hydroxyphenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol
CID 14346614
2-[2-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-4-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172870512
2-[2-(4-hydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 163472366
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
ethane;4-(2-methylsulfanylethyl)phenol
CID 154657371
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol?
The IUPAC name of ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol (CID 143639201) is ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol.
What is the SMILES notation for ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol?
The canonical SMILES for ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol is CC.Oc1ccc(CCc2ccc(O)c(P)c2O)cc1.
What is the InChIKey of ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol?
The InChIKey is SKDKTHXIUKCKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O3P.C2H6/c15-11-6-2-9(3-7-11)1-4-10-5-8-12(16)14(18)13(10)17;1-2/h2-3,5-8,15-17H,1,4,18H2;1-2H3.
What are the key properties of ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol?
ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol has a molecular weight of 292.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(4-hydroxyphenyl)ethyl]-2-phosphanylbenzene-1,3-diol is sourced from PubChem (CID 143639201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).