4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol

C20H26O — CID 166697370

IUPAC4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
SMILESCC(C)Cc1ccc(CC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O/c1-15(2)12-17-4-6-18(7-5-17)13-16(3)14-19-8-10-20(21)11-9-19/h4-11,15-16,21H,12-14H2,1-3H3
InChIKeyHHSZCLKYUOULRP-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.01
Rot. Bonds6

About 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol (PubChem CID 166697370) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
PubChem CID166697370
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
SMILESCC(C)Cc1ccc(CC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O/c1-15(2)12-17-4-6-18(7-5-17)13-16(3)14-19-8-10-20(21)11-9-19/h4-11,15-16,21H,12-14H2,1-3H3
InChIKeyHHSZCLKYUOULRP-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 115046426
3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol
CID 152928939

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol?
The IUPAC name of 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol (CID 166697370) is 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol.
What is the SMILES notation for 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol?
The canonical SMILES for 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol is CC(C)Cc1ccc(CC(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol?
The InChIKey is HHSZCLKYUOULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-15(2)12-17-4-6-18(7-5-17)13-16(3)14-19-8-10-20(21)11-9-19/h4-11,15-16,21H,12-14H2,1-3H3.
What are the key properties of 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol?
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol has a molecular weight of 282.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol is sourced from PubChem (CID 166697370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).