4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol

C29H30O2 — CID 59746015

IUPAC4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2C)c2cccc3ccccc23)c(C)c(C)c1O
InChIInChI=1S/C29H30O2/c1-16-14-25(18(3)20(5)28(16)30)27(26-15-17(2)29(31)21(6)19(26)4)24-13-9-11-22-10-7-8-12-23(22)24/h7-15,27,30-31H,1-6H3
InChIKeyXYSILXLXXBKBLM-UHFFFAOYSA-N
MW410.56 g/mol
LogP7.28
Rot. Bonds3

About 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol

4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol (PubChem CID 59746015) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
PubChem CID59746015
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Name4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2C)c2cccc3ccccc23)c(C)c(C)c1O
InChIInChI=1S/C29H30O2/c1-16-14-25(18(3)20(5)28(16)30)27(26-15-17(2)29(31)21(6)19(26)4)24-13-9-11-22-10-7-8-12-23(22)24/h7-15,27,30-31H,1-6H3
InChIKeyXYSILXLXXBKBLM-UHFFFAOYSA-N
XLogP7.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-5-(4-hydroxy-3-methylphenyl)-3-methylphenyl]-naphthalen-1-ylmethyl]-4-(4-hydroxy-3-methylphenyl)-6-methylphenol
CID 164762157
1-[(2,3-dihydroxynaphthalen-1-yl)-naphthalen-1-ylmethyl]naphthalene-2,3-diol
CID 161485171
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
CID 156583433
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol (CID 59746015) is 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol is Cc1cc(C(c2cc(C)c(O)c(C)c2C)c2cccc3ccccc23)c(C)c(C)c1O.
What is the InChIKey of 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol?
The InChIKey is XYSILXLXXBKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O2/c1-16-14-25(18(3)20(5)28(16)30)27(26-15-17(2)29(31)21(6)19(26)4)24-13-9-11-22-10-7-8-12-23(22)24/h7-15,27,30-31H,1-6H3.
What are the key properties of 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol?
4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol has a molecular weight of 410.56 g/mol, XLogP of 7.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 59746015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).