4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol

C16H26O2 — CID 114866082

IUPAC4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26O2/c1-6-8-16(17,9-7-2)14-10-13(4)15(18-5)11-12(14)3/h10-11,17H,6-9H2,1-5H3
InChIKeyWDQXAIQMLVNDSD-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.10
Rot. Bonds6

About 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol

4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol (PubChem CID 114866082) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
PubChem CID114866082
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26O2/c1-6-8-16(17,9-7-2)14-10-13(4)15(18-5)11-12(14)3/h10-11,17H,6-9H2,1-5H3
InChIKeyWDQXAIQMLVNDSD-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)hexanoic acid
CID 112507698
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 82049543
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
3-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-one
CID 82286345
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol (CID 114866082) is 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol is CCCC(O)(CCC)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol?
The InChIKey is WDQXAIQMLVNDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-8-16(17,9-7-2)14-10-13(4)15(18-5)11-12(14)3/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol?
4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol has a molecular weight of 250.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,5-dimethylphenyl)heptan-4-ol is sourced from PubChem (CID 114866082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).