6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol

C15H22O2 — CID 105127429

IUPAC6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
SMILESC=C(C)CCC(O)CCOc1cccc(C)c1
InChIInChI=1S/C15H22O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11,14,16H,1,7-10H2,2-3H3
InChIKeyYNJYEVYFQHSCRD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.48
Rot. Bonds7

About 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol

6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol (PubChem CID 105127429) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol.

Molecular Properties

Compound Name6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
PubChem CID105127429
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
SMILESC=C(C)CCC(O)CCOc1cccc(C)c1
InChIInChI=1S/C15H22O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11,14,16H,1,7-10H2,2-3H3
InChIKeyYNJYEVYFQHSCRD-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
CID 105377568
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol?
The IUPAC name of 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol (CID 105127429) is 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol.
What is the SMILES notation for 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol?
The canonical SMILES for 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol is C=C(C)CCC(O)CCOc1cccc(C)c1.
What is the InChIKey of 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol?
The InChIKey is YNJYEVYFQHSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)7-8-14(16)9-10-17-15-6-4-5-13(3)11-15/h4-6,11,14,16H,1,7-10H2,2-3H3.
What are the key properties of 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol?
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol is sourced from PubChem (CID 105127429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).