1-(3-methylphenoxy)hex-5-en-3-ol

C13H18O2 — CID 105081716

IUPAC1-(3-methylphenoxy)hex-5-en-3-ol
SMILESC=CCC(O)CCOc1cccc(C)c1
InChIInChI=1S/C13H18O2/c1-3-5-12(14)8-9-15-13-7-4-6-11(2)10-13/h3-4,6-7,10,12,14H,1,5,8-9H2,2H3
InChIKeyCENCITGIFXXJSA-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-methylphenoxy)hex-5-en-3-ol

1-(3-methylphenoxy)hex-5-en-3-ol (PubChem CID 105081716) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(3-methylphenoxy)hex-5-en-3-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)hex-5-en-3-ol
PubChem CID105081716
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(3-methylphenoxy)hex-5-en-3-ol
SMILESC=CCC(O)CCOc1cccc(C)c1
InChIInChI=1S/C13H18O2/c1-3-5-12(14)8-9-15-13-7-4-6-11(2)10-13/h3-4,6-7,10,12,14H,1,5,8-9H2,2H3
InChIKeyCENCITGIFXXJSA-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
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)hept-6-en-3-ol
CID 105127429
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-ol
CID 105097903
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
9-phenoxynon-1-en-4-ol
CID 86063840
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(5-fluoro-2-methylphenyl)-4-(3-methylphenoxy)butan-2-ol
CID 105377568
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)hex-5-en-3-ol?
The IUPAC name of 1-(3-methylphenoxy)hex-5-en-3-ol (CID 105081716) is 1-(3-methylphenoxy)hex-5-en-3-ol.
What is the SMILES notation for 1-(3-methylphenoxy)hex-5-en-3-ol?
The canonical SMILES for 1-(3-methylphenoxy)hex-5-en-3-ol is C=CCC(O)CCOc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenoxy)hex-5-en-3-ol?
The InChIKey is CENCITGIFXXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-12(14)8-9-15-13-7-4-6-11(2)10-13/h3-4,6-7,10,12,14H,1,5,8-9H2,2H3.
What are the key properties of 1-(3-methylphenoxy)hex-5-en-3-ol?
1-(3-methylphenoxy)hex-5-en-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)hex-5-en-3-ol is sourced from PubChem (CID 105081716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).