1-(4-methyl-2-prop-2-enoxyphenyl)ethanol

C12H16O2 — CID 63651849

IUPAC1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C12H16O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h4-6,8,10,13H,1,7H2,2-3H3
InChIKeyKEDCJTISIHGYNC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol

1-(4-methyl-2-prop-2-enoxyphenyl)ethanol (PubChem CID 63651849) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
PubChem CID63651849
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C12H16O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h4-6,8,10,13H,1,7H2,2-3H3
InChIKeyKEDCJTISIHGYNC-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
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

(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol
CID 78947134
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
(1S)-1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylphenyl]ethanol
CID 106438849
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
CID 145107879
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
CID 104930653

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol?
The IUPAC name of 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol (CID 63651849) is 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol?
The canonical SMILES for 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol is C=CCOc1cc(C)ccc1C(C)O.
What is the InChIKey of 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol?
The InChIKey is KEDCJTISIHGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h4-6,8,10,13H,1,7H2,2-3H3.
What are the key properties of 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol?
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-prop-2-enoxyphenyl)ethanol is sourced from PubChem (CID 63651849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).