4-(2,3,5-trimethylheptan-3-yl)phenol

C16H26O — CID 102065619

IUPAC4-(2,3,5-trimethylheptan-3-yl)phenol
SMILESCCC(C)CC(C)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C16H26O/c1-6-13(4)11-16(5,12(2)3)14-7-9-15(17)10-8-14/h7-10,12-13,17H,6,11H2,1-5H3
InChIKeyZZIITVDIEABQMT-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.74
Rot. Bonds5

About 4-(2,3,5-trimethylheptan-3-yl)phenol

4-(2,3,5-trimethylheptan-3-yl)phenol (PubChem CID 102065619) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-(2,3,5-trimethylheptan-3-yl)phenol.

Molecular Properties

Compound Name4-(2,3,5-trimethylheptan-3-yl)phenol
PubChem CID102065619
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-(2,3,5-trimethylheptan-3-yl)phenol
SMILESCCC(C)CC(C)(c1ccc(O)cc1)C(C)C
InChIInChI=1S/C16H26O/c1-6-13(4)11-16(5,12(2)3)14-7-9-15(17)10-8-14/h7-10,12-13,17H,6,11H2,1-5H3
InChIKeyZZIITVDIEABQMT-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[7-(4-hydroxyphenyl)-2,4,7,8-tetramethylnonan-2-yl]phenol
CID 143292660
4-(2,3,4-trimethylhexan-3-yl)phenol
CID 91753334
4-(4-ethyl-2-hydroxyhexan-2-yl)phenol
CID 83075145
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
CID 139945026
4-[2-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenol;4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol
CID 159320188
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
4-(2-methyl-3-sulfanylbutan-2-yl)phenol
CID 115020824
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
CID 118338638
4-(3-methylpentyl)phenol
CID 57225129
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
2-(4-hydroxyphenyl)-2,3-dimethylbutanoyl chloride
CID 117048075

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trimethylheptan-3-yl)phenol?
The IUPAC name of 4-(2,3,5-trimethylheptan-3-yl)phenol (CID 102065619) is 4-(2,3,5-trimethylheptan-3-yl)phenol.
What is the SMILES notation for 4-(2,3,5-trimethylheptan-3-yl)phenol?
The canonical SMILES for 4-(2,3,5-trimethylheptan-3-yl)phenol is CCC(C)CC(C)(c1ccc(O)cc1)C(C)C.
What is the InChIKey of 4-(2,3,5-trimethylheptan-3-yl)phenol?
The InChIKey is ZZIITVDIEABQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-13(4)11-16(5,12(2)3)14-7-9-15(17)10-8-14/h7-10,12-13,17H,6,11H2,1-5H3.
What are the key properties of 4-(2,3,5-trimethylheptan-3-yl)phenol?
4-(2,3,5-trimethylheptan-3-yl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trimethylheptan-3-yl)phenol is sourced from PubChem (CID 102065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).