4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol

C24H34O2 — CID 121339044

IUPAC4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
SMILESCCC[C@H](Cc1ccc(O)c(C)c1)[C@H](CCC)Cc1ccc(O)c(C)c1
InChIInChI=1S/C24H34O2/c1-5-7-21(15-19-9-11-23(25)17(3)13-19)22(8-6-2)16-20-10-12-24(26)18(4)14-20/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyCZYDYZOSAQAYQX-FGZHOGPDSA-N
MW354.53 g/mol
LogP6.33
Rot. Bonds9

About 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol

4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol (PubChem CID 121339044) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
PubChem CID121339044
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
SMILESCCC[C@H](Cc1ccc(O)c(C)c1)[C@H](CCC)Cc1ccc(O)c(C)c1
InChIInChI=1S/C24H34O2/c1-5-7-21(15-19-9-11-23(25)17(3)13-19)22(8-6-2)16-20-10-12-24(26)18(4)14-20/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyCZYDYZOSAQAYQX-FGZHOGPDSA-N
XLogP6.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
CID 83923027
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
4-butyl-2-methylphenol
CID 10964856
4-[(2R,3R)-2-butyl-3-[(3,4-dihydroxyphenyl)methyl]nonyl]benzene-1,2-diol
CID 172869127
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
4-[3-[(3,4-dihydroxyphenyl)methyl]-2-ethylpentyl]benzene-1,2-diol
CID 159514166
2-methyl-4-octadecylphenol
CID 3022311
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol?
The IUPAC name of 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol (CID 121339044) is 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol.
What is the SMILES notation for 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol?
The canonical SMILES for 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol is CCC[C@H](Cc1ccc(O)c(C)c1)[C@H](CCC)Cc1ccc(O)c(C)c1.
What is the InChIKey of 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol?
The InChIKey is CZYDYZOSAQAYQX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H34O2/c1-5-7-21(15-19-9-11-23(25)17(3)13-19)22(8-6-2)16-20-10-12-24(26)18(4)14-20/h9-14,21-22,25-26H,5-8,15-16H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol?
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol has a molecular weight of 354.53 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol is sourced from PubChem (CID 121339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).