1-(4-methoxyphenyl)non-4-yn-2-ol

C16H22O2 — CID 15536527

IUPAC1-(4-methoxyphenyl)non-4-yn-2-ol
SMILESCCCCC#CCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-5,8,13H2,1-2H3
InChIKeyXFHZLTKROMMTCA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-methoxyphenyl)non-4-yn-2-ol

1-(4-methoxyphenyl)non-4-yn-2-ol (PubChem CID 15536527) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)non-4-yn-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)non-4-yn-2-ol
PubChem CID15536527
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(4-methoxyphenyl)non-4-yn-2-ol
SMILESCCCCC#CCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H22O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-5,8,13H2,1-2H3
InChIKeyXFHZLTKROMMTCA-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
(3S)-1-[(4-methoxyphenyl)methoxy]dodec-5-yn-3-ol
CID 66561845
1-(4-methoxyphenyl)-6,6-dimethylhept-4-yn-2-ol
CID 114190155
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-phenyloct-4-yn-2-ol
CID 134857375
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
(3S,4S)-3-[(4-methoxyphenyl)methoxy]-2-methyldec-5-yn-4-ol
CID 101412125
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)non-4-yn-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)non-4-yn-2-ol (CID 15536527) is 1-(4-methoxyphenyl)non-4-yn-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)non-4-yn-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)non-4-yn-2-ol is CCCCC#CCC(O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)non-4-yn-2-ol?
The InChIKey is XFHZLTKROMMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-4-5-6-7-8-15(17)13-14-9-11-16(18-2)12-10-14/h9-12,15,17H,3-5,8,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)non-4-yn-2-ol?
1-(4-methoxyphenyl)non-4-yn-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)non-4-yn-2-ol is sourced from PubChem (CID 15536527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).