3-methyl-5-pent-2-en-3-yloxyphenol

C12H16O2 — CID 173205887

IUPAC3-methyl-5-pent-2-en-3-yloxyphenol
SMILESCC=C(CC)Oc1cc(C)cc(O)c1
InChIInChI=1S/C12H16O2/c1-4-11(5-2)14-12-7-9(3)6-10(13)8-12/h4,6-8,13H,5H2,1-3H3
InChIKeyPAAHMGLWYDDPFR-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.39
Rot. Bonds3

About 3-methyl-5-pent-2-en-3-yloxyphenol

3-methyl-5-pent-2-en-3-yloxyphenol (PubChem CID 173205887) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-5-pent-2-en-3-yloxyphenol.

Molecular Properties

Compound Name3-methyl-5-pent-2-en-3-yloxyphenol
PubChem CID173205887
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-methyl-5-pent-2-en-3-yloxyphenol
SMILESCC=C(CC)Oc1cc(C)cc(O)c1
InChIInChI=1S/C12H16O2/c1-4-11(5-2)14-12-7-9(3)6-10(13)8-12/h4,6-8,13H,5H2,1-3H3
InChIKeyPAAHMGLWYDDPFR-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-methylbenzene-1,3-diol;propane
CID 70587781
3-decoxy-5-methylphenol
CID 107679752
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
3-methyl-5-[[4-(2-methylbutan-2-yl)phenyl]methoxy]phenol
CID 123417920
chloromethyl (3-hydroxy-5-methylphenyl) sulfate
CID 139887072
3-methyl-5-(3-methylbutoxy)phenol
CID 103847271
CID 175809990
CID 175809990
3-methoxysulfanyloxy-5-methylphenol
CID 142164551

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pent-2-en-3-yloxyphenol?
The IUPAC name of 3-methyl-5-pent-2-en-3-yloxyphenol (CID 173205887) is 3-methyl-5-pent-2-en-3-yloxyphenol.
What is the SMILES notation for 3-methyl-5-pent-2-en-3-yloxyphenol?
The canonical SMILES for 3-methyl-5-pent-2-en-3-yloxyphenol is CC=C(CC)Oc1cc(C)cc(O)c1.
What is the InChIKey of 3-methyl-5-pent-2-en-3-yloxyphenol?
The InChIKey is PAAHMGLWYDDPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-11(5-2)14-12-7-9(3)6-10(13)8-12/h4,6-8,13H,5H2,1-3H3.
What are the key properties of 3-methyl-5-pent-2-en-3-yloxyphenol?
3-methyl-5-pent-2-en-3-yloxyphenol has a molecular weight of 192.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pent-2-en-3-yloxyphenol is sourced from PubChem (CID 173205887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).