4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol

C23H24O2 — CID 22734704

IUPAC4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(CCCO)cc(-c3ccc(C)cc3)c2O)cc1
InChIInChI=1S/C23H24O2/c1-16-5-9-19(10-6-16)21-14-18(4-3-13-24)15-22(23(21)25)20-11-7-17(2)8-12-20/h5-12,14-15,24-25H,3-4,13H2,1-2H3
InChIKeyVXJWLNKOPCPHLN-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.27
Rot. Bonds5

About 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol

4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol (PubChem CID 22734704) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol
PubChem CID22734704
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol
SMILESCc1ccc(-c2cc(CCCO)cc(-c3ccc(C)cc3)c2O)cc1
InChIInChI=1S/C23H24O2/c1-16-5-9-19(10-6-16)21-14-18(4-3-13-24)15-22(23(21)25)20-11-7-17(2)8-12-20/h5-12,14-15,24-25H,3-4,13H2,1-2H3
InChIKeyVXJWLNKOPCPHLN-UHFFFAOYSA-N
XLogP5.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 58863008
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
4-methylpyridine;3-pyridin-4-ylpropan-1-ol
CID 67786916
4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
CID 22492712
2-[1-[2-hydroxy-5-(3-hydroxypropyl)-3-propan-2-ylphenyl]-2-methylpropyl]-4-(3-hydroxypropyl)-6-propan-2-ylphenol
CID 59837255
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 12517384

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol?
The IUPAC name of 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol (CID 22734704) is 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol.
What is the SMILES notation for 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol?
The canonical SMILES for 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol is Cc1ccc(-c2cc(CCCO)cc(-c3ccc(C)cc3)c2O)cc1.
What is the InChIKey of 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol?
The InChIKey is VXJWLNKOPCPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-16-5-9-19(10-6-16)21-14-18(4-3-13-24)15-22(23(21)25)20-11-7-17(2)8-12-20/h5-12,14-15,24-25H,3-4,13H2,1-2H3.
What are the key properties of 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol?
4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol has a molecular weight of 332.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol is sourced from PubChem (CID 22734704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).