3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol

C19H20O2 — CID 60799873

IUPAC3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCC(C)c1ccc(COc2ccc(C#CCO)cc2)cc1
InChIInChI=1S/C19H20O2/c1-15(2)18-9-5-17(6-10-18)14-21-19-11-7-16(8-12-19)4-3-13-20/h5-12,15,20H,13-14H2,1-2H3
InChIKeyIOQYYUYOIGEXIL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds4

About 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol

3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 60799873) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID60799873
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCC(C)c1ccc(COc2ccc(C#CCO)cc2)cc1
InChIInChI=1S/C19H20O2/c1-15(2)18-9-5-17(6-10-18)14-21-19-11-7-16(8-12-19)4-3-13-20/h5-12,15,20H,13-14H2,1-2H3
InChIKeyIOQYYUYOIGEXIL-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
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

3-[4-[[4-(2-hydroxyethyl)phenoxy]methyl]phenyl]prop-2-yn-1-ol
CID 107709800
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
CID 54970199
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 7101920
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698
3-[4-(ethoxymethoxy)phenyl]prop-2-yn-1-ol
CID 65369709

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol (CID 60799873) is 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol is CC(C)c1ccc(COc2ccc(C#CCO)cc2)cc1.
What is the InChIKey of 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is IOQYYUYOIGEXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-15(2)18-9-5-17(6-10-18)14-21-19-11-7-16(8-12-19)4-3-13-20/h5-12,15,20H,13-14H2,1-2H3.
What are the key properties of 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60799873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).