2-methoxy-1-pentoxy-4-prop-2-enylbenzene

C15H22O2 — CID 3024287

IUPAC2-methoxy-1-pentoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,9-10,12H,2,4,6-8,11H2,1,3H3
InChIKeyJEQOQDNQQSEKIA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.99
Rot. Bonds8

About 2-methoxy-1-pentoxy-4-prop-2-enylbenzene

2-methoxy-1-pentoxy-4-prop-2-enylbenzene (PubChem CID 3024287) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methoxy-1-pentoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-pentoxy-4-prop-2-enylbenzene
PubChem CID3024287
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methoxy-1-pentoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,9-10,12H,2,4,6-8,11H2,1,3H3
InChIKeyJEQOQDNQQSEKIA-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pentoxy-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-pentoxy-4-prop-2-enylbenzene (CID 3024287) is 2-methoxy-1-pentoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-pentoxy-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-pentoxy-4-prop-2-enylbenzene is C=CCc1ccc(OCCCCC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-pentoxy-4-prop-2-enylbenzene?
The InChIKey is JEQOQDNQQSEKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,9-10,12H,2,4,6-8,11H2,1,3H3.
What are the key properties of 2-methoxy-1-pentoxy-4-prop-2-enylbenzene?
2-methoxy-1-pentoxy-4-prop-2-enylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pentoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 3024287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).