bis(4-prop-2-ynoxyphenyl)methanol

C19H16O3 — CID 102483655

IUPACbis(4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1ccc(C(O)c2ccc(OCC#C)cc2)cc1
InChIInChI=1S/C19H16O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h1-2,5-12,19-20H,13-14H2
InChIKeyJXOFLRUEHCVJQF-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.79
Rot. Bonds6

About bis(4-prop-2-ynoxyphenyl)methanol

bis(4-prop-2-ynoxyphenyl)methanol (PubChem CID 102483655) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is bis(4-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Namebis(4-prop-2-ynoxyphenyl)methanol
PubChem CID102483655
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namebis(4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1ccc(C(O)c2ccc(OCC#C)cc2)cc1
InChIInChI=1S/C19H16O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h1-2,5-12,19-20H,13-14H2
InChIKeyJXOFLRUEHCVJQF-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.79
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

1-(4-prop-2-ynoxyphenyl)propane-1,2,3-triol
CID 170819150
(1R)-1-(4-prop-2-ynoxyphenyl)ethanamine
CID 63367592
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
4-prop-2-ynoxybenzenethiol
CID 155088552
(4-prop-2-ynoxyphenyl)boronic acid
CID 119086652
1-[[4-[bis[2,4-bis(prop-2-ynoxy)phenyl]methyl]phenyl]-[2,4-bis(prop-2-ynoxy)phenyl]methyl]-2,4-bis(prop-2-ynoxy)benzene
CID 132839243
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
2-(3-fluoropropylamino)-1-(4-prop-2-ynoxyphenyl)propan-1-ol
CID 110185547
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
2-[(4-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 115656403
ethane;prop-2-ynoxybenzene
CID 144946264
1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene
CID 14716637

Frequently Asked Questions

What is the IUPAC name of bis(4-prop-2-ynoxyphenyl)methanol?
The IUPAC name of bis(4-prop-2-ynoxyphenyl)methanol (CID 102483655) is bis(4-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for bis(4-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for bis(4-prop-2-ynoxyphenyl)methanol is C#CCOc1ccc(C(O)c2ccc(OCC#C)cc2)cc1.
What is the InChIKey of bis(4-prop-2-ynoxyphenyl)methanol?
The InChIKey is JXOFLRUEHCVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h1-2,5-12,19-20H,13-14H2.
What are the key properties of bis(4-prop-2-ynoxyphenyl)methanol?
bis(4-prop-2-ynoxyphenyl)methanol has a molecular weight of 292.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 102483655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).