5-(3-methoxyphenyl)pent-4-yn-1-ol

C12H14O2 — CID 112554273

IUPAC5-(3-methoxyphenyl)pent-4-yn-1-ol
SMILESCOc1cccc(C#CCCCO)c1
InChIInChI=1S/C12H14O2/c1-14-12-8-5-7-11(10-12)6-3-2-4-9-13/h5,7-8,10,13H,2,4,9H2,1H3
InChIKeyZTJVURMGUXTVNX-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.82
Rot. Bonds3

About 5-(3-methoxyphenyl)pent-4-yn-1-ol

5-(3-methoxyphenyl)pent-4-yn-1-ol (PubChem CID 112554273) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(3-methoxyphenyl)pent-4-yn-1-ol
PubChem CID112554273
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(3-methoxyphenyl)pent-4-yn-1-ol
SMILESCOc1cccc(C#CCCCO)c1
InChIInChI=1S/C12H14O2/c1-14-12-8-5-7-11(10-12)6-3-2-4-9-13/h5,7-8,10,13H,2,4,9H2,1H3
InChIKeyZTJVURMGUXTVNX-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.82
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-bromobut-1-ynyl)-3-methoxybenzene
CID 170465696
5-(3-methoxyphenyl)pent-4-ynoic acid
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CID 75365696
[3-(5-hydroxypent-1-ynyl)phenyl] N-tert-butyl-N-ethylcarbamate
CID 91197376
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
4-(3-heptoxyphenyl)but-3-yn-1-ol
CID 54923421
4-(3-hexoxyphenyl)but-3-yn-1-ol
CID 54923468
N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
CID 11586570
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
5-[3-(5-hydroxypentyl)phenyl]pentan-1-ol;5-[3-(5-hydroxypent-1-ynyl)phenyl]pent-4-yn-1-ol
CID 160707879
4-(3-butan-2-yloxyphenyl)but-3-yn-1-ol
CID 60802171

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)pent-4-yn-1-ol?
The IUPAC name of 5-(3-methoxyphenyl)pent-4-yn-1-ol (CID 112554273) is 5-(3-methoxyphenyl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(3-methoxyphenyl)pent-4-yn-1-ol?
The canonical SMILES for 5-(3-methoxyphenyl)pent-4-yn-1-ol is COc1cccc(C#CCCCO)c1.
What is the InChIKey of 5-(3-methoxyphenyl)pent-4-yn-1-ol?
The InChIKey is ZTJVURMGUXTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12-8-5-7-11(10-12)6-3-2-4-9-13/h5,7-8,10,13H,2,4,9H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)pent-4-yn-1-ol?
5-(3-methoxyphenyl)pent-4-yn-1-ol has a molecular weight of 190.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)pent-4-yn-1-ol is sourced from PubChem (CID 112554273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).