2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol

C22H22O3 — CID 154087711

IUPAC2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
SMILESCC(Cc1ccccc1O)C(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H22O3/c1-15(14-16-8-2-5-11-19(16)23)22(17-9-3-6-12-20(17)24)18-10-4-7-13-21(18)25/h2-13,15,22-25H,14H2,1H3
InChIKeyDWJBRXUDOKOGCT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.81
Rot. Bonds5

About 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol

2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol (PubChem CID 154087711) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol.

Molecular Properties

Compound Name2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
PubChem CID154087711
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
SMILESCC(Cc1ccccc1O)C(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H22O3/c1-15(14-16-8-2-5-11-19(16)23)22(17-9-3-6-12-20(17)24)18-10-4-7-13-21(18)25/h2-13,15,22-25H,14H2,1H3
InChIKeyDWJBRXUDOKOGCT-UHFFFAOYSA-N
XLogP4.81
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)phenol;propane
CID 158609255
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
2-(2,3-diaminobutyl)phenol
CID 134347246
2-(2-isocyanopropyl)phenol
CID 105431640
2-(2-methylsulfonylpropyl)phenol
CID 115028803
2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673760
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-(2-methylhexyl)phenol
CID 70468814
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-[2,2-dichloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 70581591
lithium;hydride;2-propan-2-ylphenol
CID 175276368

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol?
The IUPAC name of 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol (CID 154087711) is 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol.
What is the SMILES notation for 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol?
The canonical SMILES for 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol is CC(Cc1ccccc1O)C(c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol?
The InChIKey is DWJBRXUDOKOGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-15(14-16-8-2-5-11-19(16)23)22(17-9-3-6-12-20(17)24)18-10-4-7-13-21(18)25/h2-13,15,22-25H,14H2,1H3.
What are the key properties of 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol?
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol is sourced from PubChem (CID 154087711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).