2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol

C24H26O3 — CID 69188652

IUPAC2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(Cc1ccc(O)cc1)c1ccc(O)c(C(C)Cc2ccc(O)cc2)c1
InChIInChI=1S/C24H26O3/c1-16(13-18-3-8-21(25)9-4-18)20-7-12-24(27)23(15-20)17(2)14-19-5-10-22(26)11-6-19/h3-12,15-17,25-27H,13-14H2,1-2H3
InChIKeyJBXYOUIJPFDWFW-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.50
Rot. Bonds6

About 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol

2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 69188652) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID69188652
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(Cc1ccc(O)cc1)c1ccc(O)c(C(C)Cc2ccc(O)cc2)c1
InChIInChI=1S/C24H26O3/c1-16(13-18-3-8-21(25)9-4-18)20-7-12-24(27)23(15-20)17(2)14-19-5-10-22(26)11-6-19/h3-12,15-17,25-27H,13-14H2,1-2H3
InChIKeyJBXYOUIJPFDWFW-UHFFFAOYSA-N
XLogP5.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
4-[2-[3-[2-(3-propylphenyl)propyl]phenyl]propyl]phenol
CID 162462140
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
CID 141264792
2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol (CID 69188652) is 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol is CC(Cc1ccc(O)cc1)c1ccc(O)c(C(C)Cc2ccc(O)cc2)c1.
What is the InChIKey of 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is JBXYOUIJPFDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-16(13-18-3-8-21(25)9-4-18)20-7-12-24(27)23(15-20)17(2)14-19-5-10-22(26)11-6-19/h3-12,15-17,25-27H,13-14H2,1-2H3.
What are the key properties of 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol?
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 362.47 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 69188652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).