2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol

C18H26O2 — CID 143949942

IUPAC2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol
SMILESCCCC#CCCC(Cc1ccccc1)OC(C)(C)O
InChIInChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(20-18(2,3)19)15-16-12-9-8-10-13-16/h8-10,12-13,17,19H,4-5,11,14-15H2,1-3H3
InChIKeyOWCHCHSZQWLJGD-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.93
Rot. Bonds7

About 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol

2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol (PubChem CID 143949942) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol
PubChem CID143949942
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol
SMILESCCCC#CCCC(Cc1ccccc1)OC(C)(C)O
InChIInChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(20-18(2,3)19)15-16-12-9-8-10-13-16/h8-10,12-13,17,19H,4-5,11,14-15H2,1-3H3
InChIKeyOWCHCHSZQWLJGD-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 134857375
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(2R,5R)-2-[(2-methylpropan-2-yl)oxy]-5-octoxy-6-phenylhexan-1-ol
CID 15504575
(2S,5R)-2-[(2-methylpropan-2-yl)oxy]-5-octoxy-6-phenylhexan-1-ol
CID 15504574
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
1-phenylhexane-2,3-diol
CID 68731092
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
2-methoxyoctylbenzene
CID 102054372
oct-4-ynoxymethylbenzene
CID 11063850
10-(2-hydroxypropan-2-yloxy)heptadec-1-en-4,6-diyn-3-yl 3-phenylprop-2-enoate
CID 91077949
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CID 151688969

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol?
The IUPAC name of 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol (CID 143949942) is 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol.
What is the SMILES notation for 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol?
The canonical SMILES for 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol is CCCC#CCCC(Cc1ccccc1)OC(C)(C)O.
What is the InChIKey of 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol?
The InChIKey is OWCHCHSZQWLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-5-6-7-11-14-17(20-18(2,3)19)15-16-12-9-8-10-13-16/h8-10,12-13,17,19H,4-5,11,14-15H2,1-3H3.
What are the key properties of 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol?
2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylnon-5-yn-2-yloxy)propan-2-ol is sourced from PubChem (CID 143949942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).