3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol

C16H20O4 — CID 70230773

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol
SMILESCOc1ccc(C#CC(O)OC)cc1OC1CCCC1
InChIInChI=1S/C16H20O4/c1-18-14-9-7-12(8-10-16(17)19-2)11-15(14)20-13-5-3-4-6-13/h7,9,11,13,16-17H,3-6H2,1-2H3
InChIKeyYOWUHGNGIRVJPC-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.33
Rot. Bonds4

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol

3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol (PubChem CID 70230773) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol
PubChem CID70230773
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol
SMILESCOc1ccc(C#CC(O)OC)cc1OC1CCCC1
InChIInChI=1S/C16H20O4/c1-18-14-9-7-12(8-10-16(17)19-2)11-15(14)20-13-5-3-4-6-13/h7,9,11,13,16-17H,3-6H2,1-2H3
InChIKeyYOWUHGNGIRVJPC-UHFFFAOYSA-N
XLogP2.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpropanenitrile
CID 70064225
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
methyl 5-(4-chloro-3-fluorophenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate
CID 19349946
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
CID 63214410
methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-dibenzo-p-dioxin-2-ylpent-4-ynoate
CID 19349943
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol
CID 70070788
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol (CID 70230773) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol is COc1ccc(C#CC(O)OC)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol?
The InChIKey is YOWUHGNGIRVJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-18-14-9-7-12(8-10-16(17)19-2)11-15(14)20-13-5-3-4-6-13/h7,9,11,13,16-17H,3-6H2,1-2H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol?
3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol has a molecular weight of 276.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-methoxyprop-2-yn-1-ol is sourced from PubChem (CID 70230773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).