4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol

C24H26O2 — CID 139952288

IUPAC4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol
SMILESCCC(C)CC(c1ccc(O)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H26O2/c1-3-17(2)16-24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h4-15,17,24-26H,3,16H2,1-2H3
InChIKeyAVZXDSRMHQVPLK-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.33
Rot. Bonds6

About 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol

4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol (PubChem CID 139952288) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol
PubChem CID139952288
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol
SMILESCCC(C)CC(c1ccc(O)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H26O2/c1-3-17(2)16-24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h4-15,17,24-26H,3,16H2,1-2H3
InChIKeyAVZXDSRMHQVPLK-UHFFFAOYSA-N
XLogP6.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
CID 23499732
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
[3-methyl-1-(4-phenylphenyl)pentyl]hydrazine
CID 105310511
4-[4-(1-propoxyethyl)phenyl]phenol
CID 14533191
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
4-[3-chloro-4-[(2S)-2-methylbutoxy]phenyl]phenol
CID 22852102
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-(1-chloro-3-methylbutyl)phenol
CID 175072121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol?
The IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol (CID 139952288) is 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol?
The canonical SMILES for 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol is CCC(C)CC(c1ccc(O)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol?
The InChIKey is AVZXDSRMHQVPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-3-17(2)16-24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h4-15,17,24-26H,3,16H2,1-2H3.
What are the key properties of 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol?
4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol has a molecular weight of 346.47 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol is sourced from PubChem (CID 139952288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).