4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol

C21H28O2 — CID 19352790

IUPAC4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
SMILESCCC(c1ccc(O)c(C(C)C)c1)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C21H28O2/c1-6-17(15-7-9-20(22)18(11-15)13(2)3)16-8-10-21(23)19(12-16)14(4)5/h7-14,17,22-23H,6H2,1-5H3
InChIKeyOTMOITAVSCHTET-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.89
Rot. Bonds5

About 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol

4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol (PubChem CID 19352790) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
PubChem CID19352790
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
SMILESCCC(c1ccc(O)c(C(C)C)c1)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C21H28O2/c1-6-17(15-7-9-20(22)18(11-15)13(2)3)16-8-10-21(23)19(12-16)14(4)5/h7-14,17,22-23H,6H2,1-5H3
InChIKeyOTMOITAVSCHTET-UHFFFAOYSA-N
XLogP5.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(propan-2-yl)phenol
CID 18048
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]propyl]-2,6-di(propan-2-yl)aniline
CID 70421287
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
2,5-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 586439
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
5-butan-2-yl-2-[(2S)-butan-2-yl]phenol
CID 71088611

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol (CID 19352790) is 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol is CCC(c1ccc(O)c(C(C)C)c1)c1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol?
The InChIKey is OTMOITAVSCHTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-6-17(15-7-9-20(22)18(11-15)13(2)3)16-8-10-21(23)19(12-16)14(4)5/h7-14,17,22-23H,6H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol?
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol has a molecular weight of 312.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol is sourced from PubChem (CID 19352790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).