3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol

C20H18O3 — CID 20564680

IUPAC3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1cccc(O)c1)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H18O3/c1-20(14-5-2-8-17(21)11-14,15-6-3-9-18(22)12-15)16-7-4-10-19(23)13-16/h2-13,21-23H,1H3
InChIKeyOWDLYRXJLSPCHE-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.16
Rot. Bonds3

About 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol

3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol (PubChem CID 20564680) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
PubChem CID20564680
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
SMILESCC(c1cccc(O)c1)(c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H18O3/c1-20(14-5-2-8-17(21)11-14,15-6-3-9-18(22)12-15)16-7-4-10-19(23)13-16/h2-13,21-23H,1H3
InChIKeyOWDLYRXJLSPCHE-UHFFFAOYSA-N
XLogP4.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol (CID 20564680) is 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol is CC(c1cccc(O)c1)(c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol?
The InChIKey is OWDLYRXJLSPCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-20(14-5-2-8-17(21)11-14,15-6-3-9-18(22)12-15)16-7-4-10-19(23)13-16/h2-13,21-23H,1H3.
What are the key properties of 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol?
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol has a molecular weight of 306.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 20564680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).