5-methyl-1-phenoxyhex-4-en-3-ol

C13H18O2 — CID 105110168

IUPAC5-methyl-1-phenoxyhex-4-en-3-ol
SMILESCC(C)=CC(O)CCOc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(2)10-12(14)8-9-15-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyMIJZJSANUPBCQE-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.78
Rot. Bonds5

About 5-methyl-1-phenoxyhex-4-en-3-ol

5-methyl-1-phenoxyhex-4-en-3-ol (PubChem CID 105110168) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-1-phenoxyhex-4-en-3-ol.

Molecular Properties

Compound Name5-methyl-1-phenoxyhex-4-en-3-ol
PubChem CID105110168
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name5-methyl-1-phenoxyhex-4-en-3-ol
SMILESCC(C)=CC(O)CCOc1ccccc1
InChIInChI=1S/C13H18O2/c1-11(2)10-12(14)8-9-15-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9H2,1-2H3
InChIKeyMIJZJSANUPBCQE-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.78
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

1,5-diphenoxypentan-3-ol
CID 5314309
(3R)-1-phenoxyhexan-3-ol
CID 102063151
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
1-phenoxyhept-6-yn-3-ol
CID 63657279
3-methoxy-2-methylidene-5-phenoxypentanoic acid
CID 175225131
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenoxyhex-4-en-3-ol?
The IUPAC name of 5-methyl-1-phenoxyhex-4-en-3-ol (CID 105110168) is 5-methyl-1-phenoxyhex-4-en-3-ol.
What is the SMILES notation for 5-methyl-1-phenoxyhex-4-en-3-ol?
The canonical SMILES for 5-methyl-1-phenoxyhex-4-en-3-ol is CC(C)=CC(O)CCOc1ccccc1.
What is the InChIKey of 5-methyl-1-phenoxyhex-4-en-3-ol?
The InChIKey is MIJZJSANUPBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)10-12(14)8-9-15-13-6-4-3-5-7-13/h3-7,10,12,14H,8-9H2,1-2H3.
What are the key properties of 5-methyl-1-phenoxyhex-4-en-3-ol?
5-methyl-1-phenoxyhex-4-en-3-ol has a molecular weight of 206.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenoxyhex-4-en-3-ol is sourced from PubChem (CID 105110168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).