5-methyl-1-(3-methylphenoxy)octan-3-ol

C16H26O2 — CID 105089801

IUPAC5-methyl-1-(3-methylphenoxy)octan-3-ol
SMILESCCCC(C)CC(O)CCOc1cccc(C)c1
InChIInChI=1S/C16H26O2/c1-4-6-13(2)11-15(17)9-10-18-16-8-5-7-14(3)12-16/h5,7-8,12-13,15,17H,4,6,9-11H2,1-3H3
InChIKeySQWCUNQZCJNGMZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.95
Rot. Bonds8

About 5-methyl-1-(3-methylphenoxy)octan-3-ol

5-methyl-1-(3-methylphenoxy)octan-3-ol (PubChem CID 105089801) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenoxy)octan-3-ol.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenoxy)octan-3-ol
PubChem CID105089801
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name5-methyl-1-(3-methylphenoxy)octan-3-ol
SMILESCCCC(C)CC(O)CCOc1cccc(C)c1
InChIInChI=1S/C16H26O2/c1-4-6-13(2)11-15(17)9-10-18-16-8-5-7-14(3)12-16/h5,7-8,12-13,15,17H,4,6,9-11H2,1-3H3
InChIKeySQWCUNQZCJNGMZ-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
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1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
[5-methyl-1-(3-methylphenoxy)heptan-3-yl]hydrazine
CID 105298656
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-hexadecoxy-3-methylbenzene
CID 154641790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenoxy)octan-3-ol?
The IUPAC name of 5-methyl-1-(3-methylphenoxy)octan-3-ol (CID 105089801) is 5-methyl-1-(3-methylphenoxy)octan-3-ol.
What is the SMILES notation for 5-methyl-1-(3-methylphenoxy)octan-3-ol?
The canonical SMILES for 5-methyl-1-(3-methylphenoxy)octan-3-ol is CCCC(C)CC(O)CCOc1cccc(C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenoxy)octan-3-ol?
The InChIKey is SQWCUNQZCJNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-6-13(2)11-15(17)9-10-18-16-8-5-7-14(3)12-16/h5,7-8,12-13,15,17H,4,6,9-11H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylphenoxy)octan-3-ol?
5-methyl-1-(3-methylphenoxy)octan-3-ol has a molecular weight of 250.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenoxy)octan-3-ol is sourced from PubChem (CID 105089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).