4-(4,6-dimethylheptan-2-yl)phenol

C15H24O — CID 6427088

IUPAC4-(4,6-dimethylheptan-2-yl)phenol
SMILESCC(C)CC(C)CC(C)c1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeySLULBVLEUPOSOI-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.57
Rot. Bonds5

About 4-(4,6-dimethylheptan-2-yl)phenol

4-(4,6-dimethylheptan-2-yl)phenol (PubChem CID 6427088) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(4,6-dimethylheptan-2-yl)phenol.

Molecular Properties

Compound Name4-(4,6-dimethylheptan-2-yl)phenol
PubChem CID6427088
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(4,6-dimethylheptan-2-yl)phenol
SMILESCC(C)CC(C)CC(C)c1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeySLULBVLEUPOSOI-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
4-(3-methyl-1-sulfanylbutyl)phenol
CID 144560583
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
(4R)-4-(4-hydroxyphenyl)pentan-2-one
CID 157310522
4-hexan-2-ylphenol
CID 12579179
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
4-[1-(diethylamino)propan-2-yl]phenol
CID 115025478
2-(4-hydroxyphenyl)propane-1-sulfonic acid
CID 115029578
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylheptan-2-yl)phenol?
The IUPAC name of 4-(4,6-dimethylheptan-2-yl)phenol (CID 6427088) is 4-(4,6-dimethylheptan-2-yl)phenol.
What is the SMILES notation for 4-(4,6-dimethylheptan-2-yl)phenol?
The canonical SMILES for 4-(4,6-dimethylheptan-2-yl)phenol is CC(C)CC(C)CC(C)c1ccc(O)cc1.
What is the InChIKey of 4-(4,6-dimethylheptan-2-yl)phenol?
The InChIKey is SLULBVLEUPOSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3.
What are the key properties of 4-(4,6-dimethylheptan-2-yl)phenol?
4-(4,6-dimethylheptan-2-yl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylheptan-2-yl)phenol is sourced from PubChem (CID 6427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).