5-ethynyl-4-methoxy-2-propan-2-ylphenol

C12H14O2 — CID 130034854

IUPAC5-ethynyl-4-methoxy-2-propan-2-ylphenol
SMILESC#Cc1cc(O)c(C(C)C)cc1OC
InChIInChI=1S/C12H14O2/c1-5-9-6-11(13)10(8(2)3)7-12(9)14-4/h1,6-8,13H,2-4H3
InChIKeyMHNFOSLKDYNFHP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.51
Rot. Bonds2

About 5-ethynyl-4-methoxy-2-propan-2-ylphenol

5-ethynyl-4-methoxy-2-propan-2-ylphenol (PubChem CID 130034854) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-ethynyl-4-methoxy-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-ethynyl-4-methoxy-2-propan-2-ylphenol
PubChem CID130034854
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-ethynyl-4-methoxy-2-propan-2-ylphenol
SMILESC#Cc1cc(O)c(C(C)C)cc1OC
InChIInChI=1S/C12H14O2/c1-5-9-6-11(13)10(8(2)3)7-12(9)14-4/h1,6-8,13H,2-4H3
InChIKeyMHNFOSLKDYNFHP-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.51
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

2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol
CID 139270330
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
4-hydroxy-5-(1-hydroxyethyl)-2-methoxybenzonitrile
CID 117283459
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
2,4-dimethoxy-5-propan-2-ylbenzonitrile
CID 117293477
5-iodo-4-methoxy-2-propan-2-ylphenol;2-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)acetonitrile;methane
CID 158050568
4-hydroxy-5-(1-hydroxypropan-2-yl)-2-methoxybenzonitrile
CID 117295775
5-ethynyl-2,4-dimethoxybenzaldehyde
CID 102448041
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene
CID 10845949
2-[bis(prop-2-ynyl)amino]-1-(2-ethynyl-4,5-dimethoxyphenyl)ethanol
CID 146369003

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-methoxy-2-propan-2-ylphenol?
The IUPAC name of 5-ethynyl-4-methoxy-2-propan-2-ylphenol (CID 130034854) is 5-ethynyl-4-methoxy-2-propan-2-ylphenol.
What is the SMILES notation for 5-ethynyl-4-methoxy-2-propan-2-ylphenol?
The canonical SMILES for 5-ethynyl-4-methoxy-2-propan-2-ylphenol is C#Cc1cc(O)c(C(C)C)cc1OC.
What is the InChIKey of 5-ethynyl-4-methoxy-2-propan-2-ylphenol?
The InChIKey is MHNFOSLKDYNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-5-9-6-11(13)10(8(2)3)7-12(9)14-4/h1,6-8,13H,2-4H3.
What are the key properties of 5-ethynyl-4-methoxy-2-propan-2-ylphenol?
5-ethynyl-4-methoxy-2-propan-2-ylphenol has a molecular weight of 190.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-methoxy-2-propan-2-ylphenol is sourced from PubChem (CID 130034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).