1-(4-methoxyphenyl)oct-7-yn-3-ol

C15H20O2 — CID 115831828

IUPAC1-(4-methoxyphenyl)oct-7-yn-3-ol
SMILESC#CCCCC(O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-3-4-5-6-14(16)10-7-13-8-11-15(17-2)12-9-13/h1,8-9,11-12,14,16H,4-7,10H2,2H3
InChIKeyNHFFKXHOCOZSDG-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.79
Rot. Bonds7

About 1-(4-methoxyphenyl)oct-7-yn-3-ol

1-(4-methoxyphenyl)oct-7-yn-3-ol (PubChem CID 115831828) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)oct-7-yn-3-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)oct-7-yn-3-ol
PubChem CID115831828
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(4-methoxyphenyl)oct-7-yn-3-ol
SMILESC#CCCCC(O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-3-4-5-6-14(16)10-7-13-8-11-15(17-2)12-9-13/h1,8-9,11-12,14,16H,4-7,10H2,2H3
InChIKeyNHFFKXHOCOZSDG-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.79
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

(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
1-(4-hex-5-ynoxyphenyl)pentan-3-ol
CID 118434145
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
CID 165355377
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)oct-7-yn-3-ol?
The IUPAC name of 1-(4-methoxyphenyl)oct-7-yn-3-ol (CID 115831828) is 1-(4-methoxyphenyl)oct-7-yn-3-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)oct-7-yn-3-ol?
The canonical SMILES for 1-(4-methoxyphenyl)oct-7-yn-3-ol is C#CCCCC(O)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)oct-7-yn-3-ol?
The InChIKey is NHFFKXHOCOZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-5-6-14(16)10-7-13-8-11-15(17-2)12-9-13/h1,8-9,11-12,14,16H,4-7,10H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)oct-7-yn-3-ol?
1-(4-methoxyphenyl)oct-7-yn-3-ol has a molecular weight of 232.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)oct-7-yn-3-ol is sourced from PubChem (CID 115831828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).