1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol

C15H18O3 — CID 155366125

IUPAC1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
SMILESCC#CC(O)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C15H18O3/c1-3-4-13(16)12-7-8-14(17-2)15(9-12)18-10-11-5-6-11/h7-9,11,13,16H,5-6,10H2,1-2H3
InChIKeySTUUNIVAZGKKRT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol

1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol (PubChem CID 155366125) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
PubChem CID155366125
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
SMILESCC#CC(O)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C15H18O3/c1-3-4-13(16)12-7-8-14(17-2)15(9-12)18-10-11-5-6-11/h7-9,11,13,16H,5-6,10H2,1-2H3
InChIKeySTUUNIVAZGKKRT-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.54
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

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethanol
CID 71092576
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl-phenylcarbamic acid
CID 70158615
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol (CID 155366125) is 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol is CC#CC(O)c1ccc(OC)c(OCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol?
The InChIKey is STUUNIVAZGKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-4-13(16)12-7-8-14(17-2)15(9-12)18-10-11-5-6-11/h7-9,11,13,16H,5-6,10H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol?
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol is sourced from PubChem (CID 155366125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).