1-methoxy-4-propylbenzene

C10H14O — CID 7702

IUPAC1-methoxy-4-propylbenzene
SMILESCCCc1ccc(OC)cc1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyKBHWKXNXTURZCD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds3

About 1-methoxy-4-propylbenzene

1-methoxy-4-propylbenzene (PubChem CID 7702) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methoxy-4-propylbenzene.

Molecular Properties

Compound Name1-methoxy-4-propylbenzene
PubChem CID7702
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-methoxy-4-propylbenzene
SMILESCCCc1ccc(OC)cc1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyKBHWKXNXTURZCD-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propylbenzene?
The IUPAC name of 1-methoxy-4-propylbenzene (CID 7702) is 1-methoxy-4-propylbenzene.
What is the SMILES notation for 1-methoxy-4-propylbenzene?
The canonical SMILES for 1-methoxy-4-propylbenzene is CCCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-propylbenzene?
The InChIKey is KBHWKXNXTURZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-4-propylbenzene?
1-methoxy-4-propylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propylbenzene is sourced from PubChem (CID 7702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).