1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol

C19H20O3 — CID 88896998

IUPAC1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
SMILESC#CCC(O)C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O3/c1-4-5-18(20)19(14-6-10-16(21-2)11-7-14)15-8-12-17(22-3)13-9-15/h1,6-13,18-20H,5H2,2-3H3
InChIKeyZDUVUQCJMGVXHO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.22
Rot. Bonds6

About 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol

1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol (PubChem CID 88896998) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
PubChem CID88896998
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
SMILESC#CCC(O)C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O3/c1-4-5-18(20)19(14-6-10-16(21-2)11-7-14)15-8-12-17(22-3)13-9-15/h1,6-13,18-20H,5H2,2-3H3
InChIKeyZDUVUQCJMGVXHO-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
1-[(1S,2R)-1-ethynyl-2-(4-methoxyphenyl)but-3-ynyl]-4-methoxybenzene
CID 132575101
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
bis(4-methoxyphenyl)methyl-trimethylazanium
CID 71485391
CID 175713586
CID 175713586

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol?
The IUPAC name of 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol (CID 88896998) is 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol is C#CCC(O)C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol?
The InChIKey is ZDUVUQCJMGVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-5-18(20)19(14-6-10-16(21-2)11-7-14)15-8-12-17(22-3)13-9-15/h1,6-13,18-20H,5H2,2-3H3.
What are the key properties of 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol?
1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol has a molecular weight of 296.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol is sourced from PubChem (CID 88896998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).