4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol

C17H28O — CID 114865344

IUPAC4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol
SMILESCc1cc(C)cc(C(O)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C17H28O/c1-12(2)10-17(18,11-13(3)4)16-8-14(5)7-15(6)9-16/h7-9,12-13,18H,10-11H2,1-6H3
InChIKeyYIUPSFMKFXGRJK-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.58
Rot. Bonds5

About 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol

4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol (PubChem CID 114865344) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol
PubChem CID114865344
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol
SMILESCc1cc(C)cc(C(O)(CC(C)C)CC(C)C)c1
InChIInChI=1S/C17H28O/c1-12(2)10-17(18,11-13(3)4)16-8-14(5)7-15(6)9-16/h7-9,12-13,18H,10-11H2,1-6H3
InChIKeyYIUPSFMKFXGRJK-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-methylphenyl)-2,6-dimethylheptan-4-ol
CID 107559705
2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
CID 114865584
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
2-(3,5-dimethylphenyl)-3-methylhexan-2-ol
CID 107892756
2,6-dimethyl-4-(1-methylpyrazol-4-yl)heptan-4-ol
CID 114865466
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluorobutan-2-ol
CID 55181159
(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
2-(3-aminophenyl)-4-methylpentan-2-ol
CID 89270411
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol (CID 114865344) is 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol is Cc1cc(C)cc(C(O)(CC(C)C)CC(C)C)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol?
The InChIKey is YIUPSFMKFXGRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-12(2)10-17(18,11-13(3)4)16-8-14(5)7-15(6)9-16/h7-9,12-13,18H,10-11H2,1-6H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol?
4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol has a molecular weight of 248.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).