4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol

C14H18O2 — CID 146002748

IUPAC4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H18O2/c1-11(15)5-6-12-7-9-13(10-8-12)16-14(2,3)4/h7-11,15H,1-4H3
InChIKeyYQKDILZKNGCZOK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds1

About 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol

4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol (PubChem CID 146002748) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
PubChem CID146002748
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H18O2/c1-11(15)5-6-12-7-9-13(10-8-12)16-14(2,3)4/h7-11,15H,1-4H3
InChIKeyYQKDILZKNGCZOK-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
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

1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002747
4-ethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002741
(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-yne-1-thiol
CID 169487118
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
1-[3-(1-ethoxyethoxy)prop-1-ynyl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 146002740
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-ynoate
CID 146002754
4-[4-(4-chlorophenyl)phenyl]but-3-yn-2-ol
CID 21322299
methyl 4-(3-hydroxybut-1-ynyl)benzoate
CID 23006394
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-ynenitrile
CID 170475377
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol?
The IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol (CID 146002748) is 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol?
The canonical SMILES for 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol is CC(O)C#Cc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol?
The InChIKey is YQKDILZKNGCZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(15)5-6-12-7-9-13(10-8-12)16-14(2,3)4/h7-11,15H,1-4H3.
What are the key properties of 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol?
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-yn-2-ol is sourced from PubChem (CID 146002748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).