4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol

C43H56O4 — CID 139743493

IUPAC4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
SMILESCCCc1cc(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(CCC)c(O)c(CCC)c4C)c3O)c2O)c(C)c(CCC)c1O
InChIInChI=1S/C43H56O4/c1-9-13-30-21-32(28(7)38(15-11-3)42(30)46)23-34-17-26(5)19-36(40(34)44)25-37-20-27(6)18-35(41(37)45)24-33-22-31(14-10-2)43(47)39(16-12-4)29(33)8/h17-22,44-47H,9-16,23-25H2,1-8H3
InChIKeySDKPXFJSUBHJTR-UHFFFAOYSA-N
MW636.92 g/mol
LogP10.33
Rot. Bonds14

About 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol

4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol (PubChem CID 139743493) has the molecular formula C43H56O4 and a molecular weight of 636.92 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
PubChem CID139743493
Molecular FormulaC43H56O4
Molecular Weight636.92 g/mol
Exact Mass636.42
IUPAC Name4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
SMILESCCCc1cc(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(CCC)c(O)c(CCC)c4C)c3O)c2O)c(C)c(CCC)c1O
InChIInChI=1S/C43H56O4/c1-9-13-30-21-32(28(7)38(15-11-3)42(30)46)23-34-17-26(5)19-36(40(34)44)25-37-20-27(6)18-35(41(37)45)24-33-22-31(14-10-2)43(47)39(16-12-4)29(33)8/h17-22,44-47H,9-16,23-25H2,1-8H3
InChIKeySDKPXFJSUBHJTR-UHFFFAOYSA-N
XLogP10.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.92
LogP ≤ 510.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol with MolForge

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Related Compounds

2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
CID 18336098
5-ethyl-2-methyl-3-propylbenzene-1,4-diol
CID 139946402
4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 59689291
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol
CID 88558990
4-ethyl-2,6-dipropylphenol
CID 66879596
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
4-phenyl-2,6-dipropylphenol
CID 66879307

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol?
The IUPAC name of 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol (CID 139743493) is 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol.
What is the SMILES notation for 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol?
The canonical SMILES for 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol is CCCc1cc(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(CCC)c(O)c(CCC)c4C)c3O)c2O)c(C)c(CCC)c1O.
What is the InChIKey of 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol?
The InChIKey is SDKPXFJSUBHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56O4/c1-9-13-30-21-32(28(7)38(15-11-3)42(30)46)23-34-17-26(5)19-36(40(34)44)25-37-20-27(6)18-35(41(37)45)24-33-22-31(14-10-2)43(47)39(16-12-4)29(33)8/h17-22,44-47H,9-16,23-25H2,1-8H3.
What are the key properties of 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol?
4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol has a molecular weight of 636.92 g/mol, XLogP of 10.33, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol is sourced from PubChem (CID 139743493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).