2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol

C22H22O3 — CID 20768179

IUPAC2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
SMILESCc1cccc(Cc2cccc(Cc3cccc(C)c3O)c2O)c1O
InChIInChI=1S/C22H22O3/c1-14-6-3-8-16(20(14)23)12-18-10-5-11-19(22(18)25)13-17-9-4-7-15(2)21(17)24/h3-11,23-25H,12-13H2,1-2H3
InChIKeyQKYVLWRWOOKRFT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.60
Rot. Bonds4

About 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol

2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol (PubChem CID 20768179) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
PubChem CID20768179
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
SMILESCc1cccc(Cc2cccc(Cc3cccc(C)c3O)c2O)c1O
InChIInChI=1S/C22H22O3/c1-14-6-3-8-16(20(14)23)12-18-10-5-11-19(22(18)25)13-17-9-4-7-15(2)21(17)24/h3-11,23-25H,12-13H2,1-2H3
InChIKeyQKYVLWRWOOKRFT-UHFFFAOYSA-N
XLogP4.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
CID 54300976
2-[(3-hydroxy-4-methylphenyl)methyl]-6-methylphenol
CID 66843449
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359
2-methyl-6-prop-2-ynylphenol
CID 19103109

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol?
The IUPAC name of 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol (CID 20768179) is 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol?
The canonical SMILES for 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol is Cc1cccc(Cc2cccc(Cc3cccc(C)c3O)c2O)c1O.
What is the InChIKey of 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol?
The InChIKey is QKYVLWRWOOKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-14-6-3-8-16(20(14)23)12-18-10-5-11-19(22(18)25)13-17-9-4-7-15(2)21(17)24/h3-11,23-25H,12-13H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol?
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol has a molecular weight of 334.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol is sourced from PubChem (CID 20768179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).