1-(1-methoxyethoxy)-2-propylbenzene

C12H18O2 — CID 173377858

IUPAC1-(1-methoxyethoxy)-2-propylbenzene
SMILESCCCc1ccccc1OC(C)OC
InChIInChI=1S/C12H18O2/c1-4-7-11-8-5-6-9-12(11)14-10(2)13-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyRNRQWWUOYMONRA-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.01
Rot. Bonds5

About 1-(1-methoxyethoxy)-2-propylbenzene

1-(1-methoxyethoxy)-2-propylbenzene (PubChem CID 173377858) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(1-methoxyethoxy)-2-propylbenzene.

Molecular Properties

Compound Name1-(1-methoxyethoxy)-2-propylbenzene
PubChem CID173377858
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(1-methoxyethoxy)-2-propylbenzene
SMILESCCCc1ccccc1OC(C)OC
InChIInChI=1S/C12H18O2/c1-4-7-11-8-5-6-9-12(11)14-10(2)13-3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyRNRQWWUOYMONRA-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
1-(2-dodecylphenoxy)ethanol
CID 175113805
(2-propylphenyl) hydrogen sulfite
CID 141345430
1-(2-icosylphenoxy)ethyl dihydrogen phosphate
CID 122612545
(2-propylphenyl) formate
CID 54498769
bis(2-propylphenyl) carbonate
CID 66781525
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
(2-propylphenyl) hydrogen sulfate
CID 22461372

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxy)-2-propylbenzene?
The IUPAC name of 1-(1-methoxyethoxy)-2-propylbenzene (CID 173377858) is 1-(1-methoxyethoxy)-2-propylbenzene.
What is the SMILES notation for 1-(1-methoxyethoxy)-2-propylbenzene?
The canonical SMILES for 1-(1-methoxyethoxy)-2-propylbenzene is CCCc1ccccc1OC(C)OC.
What is the InChIKey of 1-(1-methoxyethoxy)-2-propylbenzene?
The InChIKey is RNRQWWUOYMONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-7-11-8-5-6-9-12(11)14-10(2)13-3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-(1-methoxyethoxy)-2-propylbenzene?
1-(1-methoxyethoxy)-2-propylbenzene has a molecular weight of 194.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxy)-2-propylbenzene is sourced from PubChem (CID 173377858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).