4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol

C24H26O4 — CID 18966010

IUPAC4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol
SMILESCOc1cc(C(c2c(C)cc(O)cc2C)c2c(C)cc(O)cc2C)ccc1O
InChIInChI=1S/C24H26O4/c1-13-8-18(25)9-14(2)22(13)24(17-6-7-20(27)21(12-17)28-5)23-15(3)10-19(26)11-16(23)4/h6-12,24-27H,1-5H3
InChIKeyVFLCDUSVJHFPLX-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.23
Rot. Bonds4

About 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol

4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol (PubChem CID 18966010) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol
PubChem CID18966010
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol
SMILESCOc1cc(C(c2c(C)cc(O)cc2C)c2c(C)cc(O)cc2C)ccc1O
InChIInChI=1S/C24H26O4/c1-13-8-18(25)9-14(2)22(13)24(17-6-7-20(27)21(12-17)28-5)23-15(3)10-19(26)11-16(23)4/h6-12,24-27H,1-5H3
InChIKeyVFLCDUSVJHFPLX-UHFFFAOYSA-N
XLogP5.23
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
2-[(3-ethoxy-4-hydroxyphenyl)-(2-hydroxy-3,4,6-trimethylphenyl)methyl]-3,5,6-trimethylphenol
CID 22338915
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol (CID 18966010) is 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol is COc1cc(C(c2c(C)cc(O)cc2C)c2c(C)cc(O)cc2C)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol?
The InChIKey is VFLCDUSVJHFPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-13-8-18(25)9-14(2)22(13)24(17-6-7-20(27)21(12-17)28-5)23-15(3)10-19(26)11-16(23)4/h6-12,24-27H,1-5H3.
What are the key properties of 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol?
4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol has a molecular weight of 378.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,6-dimethylphenyl)-(4-hydroxy-3-methoxyphenyl)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 18966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).