(4-ethynyl-2-propan-2-ylphenyl)methanol

C12H14O — CID 146231303

IUPAC(4-ethynyl-2-propan-2-ylphenyl)methanol
SMILESC#Cc1ccc(CO)c(C(C)C)c1
InChIInChI=1S/C12H14O/c1-4-10-5-6-11(8-13)12(7-10)9(2)3/h1,5-7,9,13H,8H2,2-3H3
InChIKeyZTGVAYBTZOIXJZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.28
Rot. Bonds2

About (4-ethynyl-2-propan-2-ylphenyl)methanol

(4-ethynyl-2-propan-2-ylphenyl)methanol (PubChem CID 146231303) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (4-ethynyl-2-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-ethynyl-2-propan-2-ylphenyl)methanol
PubChem CID146231303
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(4-ethynyl-2-propan-2-ylphenyl)methanol
SMILESC#Cc1ccc(CO)c(C(C)C)c1
InChIInChI=1S/C12H14O/c1-4-10-5-6-11(8-13)12(7-10)9(2)3/h1,5-7,9,13H,8H2,2-3H3
InChIKeyZTGVAYBTZOIXJZ-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethynyl-2-propan-2-ylphenyl)methanol?
The IUPAC name of (4-ethynyl-2-propan-2-ylphenyl)methanol (CID 146231303) is (4-ethynyl-2-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-ethynyl-2-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-ethynyl-2-propan-2-ylphenyl)methanol is C#Cc1ccc(CO)c(C(C)C)c1.
What is the InChIKey of (4-ethynyl-2-propan-2-ylphenyl)methanol?
The InChIKey is ZTGVAYBTZOIXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-10-5-6-11(8-13)12(7-10)9(2)3/h1,5-7,9,13H,8H2,2-3H3.
What are the key properties of (4-ethynyl-2-propan-2-ylphenyl)methanol?
(4-ethynyl-2-propan-2-ylphenyl)methanol has a molecular weight of 174.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-2-propan-2-ylphenyl)methanol is sourced from PubChem (CID 146231303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).