1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol

C14H20O2 — CID 114472830

IUPAC1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
SMILESC=C(C)CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C14H20O2/c1-10(2)7-8-16-14-9-11(3)5-6-13(14)12(4)15/h5-6,9,12,15H,1,7-8H2,2-4H3
InChIKeyATLPPCVNLZGNEI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol

1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol (PubChem CID 114472830) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
PubChem CID114472830
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
SMILESC=C(C)CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C14H20O2/c1-10(2)7-8-16-14-9-11(3)5-6-13(14)12(4)15/h5-6,9,12,15H,1,7-8H2,2-4H3
InChIKeyATLPPCVNLZGNEI-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.39
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-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
(1S)-1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 104929578
4-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-methylbutanamide
CID 78953868

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol?
The IUPAC name of 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol (CID 114472830) is 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol is C=C(C)CCOc1cc(C)ccc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol?
The InChIKey is ATLPPCVNLZGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)7-8-16-14-9-11(3)5-6-13(14)12(4)15/h5-6,9,12,15H,1,7-8H2,2-4H3.
What are the key properties of 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol?
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol has a molecular weight of 220.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol is sourced from PubChem (CID 114472830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).