3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol

C12H14O3 — CID 11469808

IUPAC3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
SMILESCOCOc1cc(C#CCO)ccc1C
InChIInChI=1S/C12H14O3/c1-10-5-6-11(4-3-7-13)8-12(10)15-9-14-2/h5-6,8,13H,7,9H2,1-2H3
InChIKeyYHPKYWJGPZIKKZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.32
Rot. Bonds3

About 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol

3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol (PubChem CID 11469808) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
PubChem CID11469808
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
SMILESCOCOc1cc(C#CCO)ccc1C
InChIInChI=1S/C12H14O3/c1-10-5-6-11(4-3-7-13)8-12(10)15-9-14-2/h5-6,8,13H,7,9H2,1-2H3
InChIKeyYHPKYWJGPZIKKZ-UHFFFAOYSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682
3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol
CID 168974810
3-(3,4-diethoxyphenyl)prop-2-yn-1-ol
CID 60799677
3-[3-methyl-4-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55163271
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 102983248
2-[3-(methoxymethoxy)-4-methylphenyl]acetonitrile;[3-(methoxymethoxy)-4-methylphenyl]methanol
CID 158260809
3-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]prop-2-yn-1-ol
CID 114675253
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
4-[4-(3-methoxypropoxy)-3-methylphenyl]but-3-yn-1-ol
CID 55163667

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol (CID 11469808) is 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol is COCOc1cc(C#CCO)ccc1C.
What is the InChIKey of 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol?
The InChIKey is YHPKYWJGPZIKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-10-5-6-11(4-3-7-13)8-12(10)15-9-14-2/h5-6,8,13H,7,9H2,1-2H3.
What are the key properties of 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol?
3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol has a molecular weight of 206.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 11469808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).