methoxymethylbenzene;propane;prop-1-yn-1-ol

C14H22O2 — CID 91351107

IUPACmethoxymethylbenzene;propane;prop-1-yn-1-ol
SMILESCC#CO.CCC.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H4O.C3H8/c1-9-7-8-5-3-2-4-6-8;1-2-3-4;1-3-2/h2-6H,7H2,1H3;4H,1H3;3H2,1-2H3
InChIKeyKSPPOUNJJQQTBP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.59
Rot. Bonds2

About methoxymethylbenzene;propane;prop-1-yn-1-ol

methoxymethylbenzene;propane;prop-1-yn-1-ol (PubChem CID 91351107) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is methoxymethylbenzene;propane;prop-1-yn-1-ol.

Molecular Properties

Compound Namemethoxymethylbenzene;propane;prop-1-yn-1-ol
PubChem CID91351107
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namemethoxymethylbenzene;propane;prop-1-yn-1-ol
SMILESCC#CO.CCC.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H4O.C3H8/c1-9-7-8-5-3-2-4-6-8;1-2-3-4;1-3-2/h2-6H,7H2,1H3;4H,1H3;3H2,1-2H3
InChIKeyKSPPOUNJJQQTBP-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;propane;prop-1-yn-1-ol?
The IUPAC name of methoxymethylbenzene;propane;prop-1-yn-1-ol (CID 91351107) is methoxymethylbenzene;propane;prop-1-yn-1-ol.
What is the SMILES notation for methoxymethylbenzene;propane;prop-1-yn-1-ol?
The canonical SMILES for methoxymethylbenzene;propane;prop-1-yn-1-ol is CC#CO.CCC.COCc1ccccc1.
What is the InChIKey of methoxymethylbenzene;propane;prop-1-yn-1-ol?
The InChIKey is KSPPOUNJJQQTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H4O.C3H8/c1-9-7-8-5-3-2-4-6-8;1-2-3-4;1-3-2/h2-6H,7H2,1H3;4H,1H3;3H2,1-2H3.
What are the key properties of methoxymethylbenzene;propane;prop-1-yn-1-ol?
methoxymethylbenzene;propane;prop-1-yn-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;propane;prop-1-yn-1-ol is sourced from PubChem (CID 91351107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).