3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol

C16H22O4 — CID 103179506

IUPAC3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
SMILESCOCCCOCCOCc1cccc(C#CCO)c1
InChIInChI=1S/C16H22O4/c1-18-9-4-10-19-11-12-20-14-16-6-2-5-15(13-16)7-3-8-17/h2,5-6,13,17H,4,8-12,14H2,1H3
InChIKeyUZDPKXAKCWYQJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds9

About 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol

3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol (PubChem CID 103179506) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
PubChem CID103179506
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
SMILESCOCCCOCCOCc1cccc(C#CCO)c1
InChIInChI=1S/C16H22O4/c1-18-9-4-10-19-11-12-20-14-16-6-2-5-15(13-16)7-3-8-17/h2,5-6,13,17H,4,8-12,14H2,1H3
InChIKeyUZDPKXAKCWYQJG-UHFFFAOYSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63288050
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-[3-(oxolan-3-ylmethoxymethyl)phenyl]prop-2-yn-1-ol
CID 54977358
4-[3-(4,4,4-trifluorobutoxymethyl)phenyl]but-3-yn-1-ol
CID 82788667
4-[3-fluoro-5-(3-methoxypropoxymethyl)phenyl]but-3-yn-1-ol
CID 79710939
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
2-bromo-1-methoxy-4-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179412
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 102983248
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
4-[3-[(3-bromophenyl)methoxymethyl]phenyl]but-3-yn-1-ol
CID 82806535

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol (CID 103179506) is 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol is COCCCOCCOCc1cccc(C#CCO)c1.
What is the InChIKey of 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The InChIKey is UZDPKXAKCWYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-9-4-10-19-11-12-20-14-16-6-2-5-15(13-16)7-3-8-17/h2,5-6,13,17H,4,8-12,14H2,1H3.
What are the key properties of 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol has a molecular weight of 278.35 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 103179506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).