1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene

C14H20O2 — CID 126691657

IUPAC1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene
SMILESCOCCCc1ccc(OC2CC2)c(C)c1
InChIInChI=1S/C14H20O2/c1-11-10-12(4-3-9-15-2)5-8-14(11)16-13-6-7-13/h5,8,10,13H,3-4,6-7,9H2,1-2H3
InChIKeyMDXQSQASTOAWOE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.12
Rot. Bonds6

About 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene

1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene (PubChem CID 126691657) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene
PubChem CID126691657
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene
SMILESCOCCCc1ccc(OC2CC2)c(C)c1
InChIInChI=1S/C14H20O2/c1-11-10-12(4-3-9-15-2)5-8-14(11)16-13-6-7-13/h5,8,10,13H,3-4,6-7,9H2,1-2H3
InChIKeyMDXQSQASTOAWOE-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene?
The IUPAC name of 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene (CID 126691657) is 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene.
What is the SMILES notation for 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene?
The canonical SMILES for 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene is COCCCc1ccc(OC2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene?
The InChIKey is MDXQSQASTOAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-10-12(4-3-9-15-2)5-8-14(11)16-13-6-7-13/h5,8,10,13H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene?
1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-(3-methoxypropyl)-2-methylbenzene is sourced from PubChem (CID 126691657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).