4-[2,5-di(pentan-2-yl)phenyl]phenol

C22H30O — CID 174791331

IUPAC4-[2,5-di(pentan-2-yl)phenyl]phenol
SMILESCCCC(C)c1ccc(C(C)CCC)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H30O/c1-5-7-16(3)19-11-14-21(17(4)8-6-2)22(15-19)18-9-12-20(23)13-10-18/h9-17,23H,5-8H2,1-4H3
InChIKeyOJIUNDDPXIUVDN-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.87
Rot. Bonds7

About 4-[2,5-di(pentan-2-yl)phenyl]phenol

4-[2,5-di(pentan-2-yl)phenyl]phenol (PubChem CID 174791331) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-[2,5-di(pentan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,5-di(pentan-2-yl)phenyl]phenol
PubChem CID174791331
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name4-[2,5-di(pentan-2-yl)phenyl]phenol
SMILESCCCC(C)c1ccc(C(C)CCC)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C22H30O/c1-5-7-16(3)19-11-14-21(17(4)8-6-2)22(15-19)18-9-12-20(23)13-10-18/h9-17,23H,5-8H2,1-4H3
InChIKeyOJIUNDDPXIUVDN-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-pentan-2-ylphenol
CID 130033342
4-hexan-2-ylphenol
CID 12579179
4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
CID 174821921
2-bromo-5-pentan-2-ylphenol
CID 21321756
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
CID 82543299
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
4-[4-(1-propoxyethyl)phenyl]phenol
CID 14533191
4-[5-(1-aminoethyl)-2-methylphenyl]phenol
CID 115036232
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-(3-methylheptan-4-yl)phenol
CID 123454111

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-di(pentan-2-yl)phenyl]phenol?
The IUPAC name of 4-[2,5-di(pentan-2-yl)phenyl]phenol (CID 174791331) is 4-[2,5-di(pentan-2-yl)phenyl]phenol.
What is the SMILES notation for 4-[2,5-di(pentan-2-yl)phenyl]phenol?
The canonical SMILES for 4-[2,5-di(pentan-2-yl)phenyl]phenol is CCCC(C)c1ccc(C(C)CCC)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[2,5-di(pentan-2-yl)phenyl]phenol?
The InChIKey is OJIUNDDPXIUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-5-7-16(3)19-11-14-21(17(4)8-6-2)22(15-19)18-9-12-20(23)13-10-18/h9-17,23H,5-8H2,1-4H3.
What are the key properties of 4-[2,5-di(pentan-2-yl)phenyl]phenol?
4-[2,5-di(pentan-2-yl)phenyl]phenol has a molecular weight of 310.48 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-di(pentan-2-yl)phenyl]phenol is sourced from PubChem (CID 174791331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).