3-[1,1,2-tris(phosphanyl)ethyl]phenol

C8H13OP3 — CID 163697012

IUPAC3-[1,1,2-tris(phosphanyl)ethyl]phenol
SMILESOc1cccc(C(P)(P)CP)c1
InChIInChI=1S/C8H13OP3/c9-7-3-1-2-6(4-7)8(11,12)5-10/h1-4,9H,5,10-12H2
InChIKeyJXUANMJZTSCLJH-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.17
Rot. Bonds2

About 3-[1,1,2-tris(phosphanyl)ethyl]phenol

3-[1,1,2-tris(phosphanyl)ethyl]phenol (PubChem CID 163697012) has the molecular formula C8H13OP3 and a molecular weight of 218.11 g/mol. Its IUPAC name is 3-[1,1,2-tris(phosphanyl)ethyl]phenol.

Molecular Properties

Compound Name3-[1,1,2-tris(phosphanyl)ethyl]phenol
PubChem CID163697012
Molecular FormulaC8H13OP3
Molecular Weight218.11 g/mol
Exact Mass218.02
IUPAC Name3-[1,1,2-tris(phosphanyl)ethyl]phenol
SMILESOc1cccc(C(P)(P)CP)c1
InChIInChI=1S/C8H13OP3/c9-7-3-1-2-6(4-7)8(11,12)5-10/h1-4,9H,5,10-12H2
InChIKeyJXUANMJZTSCLJH-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-(3-aminopentan-3-yl)phenol
CID 23618552
3-[2,2,2-tris(3-hydroxyphenyl)ethyl]phenol
CID 57265568
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
CID 105459733
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
CID 105473540
3,3-bis(3-hydroxyphenyl)pentanediamide
CID 142654567
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400

Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2-tris(phosphanyl)ethyl]phenol?
The IUPAC name of 3-[1,1,2-tris(phosphanyl)ethyl]phenol (CID 163697012) is 3-[1,1,2-tris(phosphanyl)ethyl]phenol.
What is the SMILES notation for 3-[1,1,2-tris(phosphanyl)ethyl]phenol?
The canonical SMILES for 3-[1,1,2-tris(phosphanyl)ethyl]phenol is Oc1cccc(C(P)(P)CP)c1.
What is the InChIKey of 3-[1,1,2-tris(phosphanyl)ethyl]phenol?
The InChIKey is JXUANMJZTSCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13OP3/c9-7-3-1-2-6(4-7)8(11,12)5-10/h1-4,9H,5,10-12H2.
What are the key properties of 3-[1,1,2-tris(phosphanyl)ethyl]phenol?
3-[1,1,2-tris(phosphanyl)ethyl]phenol has a molecular weight of 218.11 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2-tris(phosphanyl)ethyl]phenol is sourced from PubChem (CID 163697012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).