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

C12H14O2 — CID 63650737

IUPAC1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C12H14O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h1,5-6,8,10,13H,7H2,2-3H3
InChIKeyCOETWVPYDWETHX-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.06
Rot. Bonds3

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

1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol (PubChem CID 63650737) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
PubChem CID63650737
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
SMILESC#CCOc1cc(C)ccc1C(C)O
InChIInChI=1S/C12H14O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h1,5-6,8,10,13H,7H2,2-3H3
InChIKeyCOETWVPYDWETHX-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-fluoro-2-prop-2-ynoxyphenyl)ethanol
CID 63365914
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
4-methyl-2-prop-2-ynoxyphenol
CID 130032474
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine
CID 60889989
5-[2-(1-hydroxyethyl)-5-methylphenoxy]pentanenitrile
CID 63650293
5-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]pentanenitrile
CID 55246869
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286
(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol?
The IUPAC name of 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol (CID 63650737) is 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol?
The canonical SMILES for 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol is C#CCOc1cc(C)ccc1C(C)O.
What is the InChIKey of 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol?
The InChIKey is COETWVPYDWETHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-7-14-12-8-9(2)5-6-11(12)10(3)13/h1,5-6,8,10,13H,7H2,2-3H3.
What are the key properties of 1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol?
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol has a molecular weight of 190.24 g/mol, XLogP of 2.06, 3 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-ynoxyphenyl)ethanol is sourced from PubChem (CID 63650737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).