4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol

C26H30O2 — CID 172761768

IUPAC4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
SMILESCc1cc(CC(C)c2ccc(C(C)Cc3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C26H30O2/c1-17(13-21-5-11-25(27)19(3)15-21)23-7-9-24(10-8-23)18(2)14-22-6-12-26(28)20(4)16-22/h5-12,15-18,27-28H,13-14H2,1-4H3
InChIKeyLTYVZMHFLUVBFB-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.41
Rot. Bonds6

About 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol

4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol (PubChem CID 172761768) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
PubChem CID172761768
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
SMILESCc1cc(CC(C)c2ccc(C(C)Cc3ccc(O)c(C)c3)cc2)ccc1O
InChIInChI=1S/C26H30O2/c1-17(13-21-5-11-25(27)19(3)15-21)23-7-9-24(10-8-23)18(2)14-22-6-12-26(28)20(4)16-22/h5-12,15-18,27-28H,13-14H2,1-4H3
InChIKeyLTYVZMHFLUVBFB-UHFFFAOYSA-N
XLogP6.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
2,4-bis(2-phenylpropyl)phenol
CID 118278794
3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol
CID 57001038
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
3-(4-hydroxy-3-methylphenyl)-2-(4-hydroxyphenyl)propanenitrile
CID 44574976
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
CID 83923027
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652
2-methyl-4-(2-methyl-3-pyrrolidin-1-ylpropyl)phenol
CID 143865960

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol?
The IUPAC name of 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol (CID 172761768) is 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol.
What is the SMILES notation for 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol?
The canonical SMILES for 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol is Cc1cc(CC(C)c2ccc(C(C)Cc3ccc(O)c(C)c3)cc2)ccc1O.
What is the InChIKey of 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol?
The InChIKey is LTYVZMHFLUVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-17(13-21-5-11-25(27)19(3)15-21)23-7-9-24(10-8-23)18(2)14-22-6-12-26(28)20(4)16-22/h5-12,15-18,27-28H,13-14H2,1-4H3.
What are the key properties of 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol?
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol has a molecular weight of 374.52 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol is sourced from PubChem (CID 172761768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).