2-methoxy-4-(2-methylpropyl)-1-propylbenzene

C14H22O — CID 90998331

IUPAC2-methoxy-4-(2-methylpropyl)-1-propylbenzene
SMILESCCCc1ccc(CC(C)C)cc1OC
InChIInChI=1S/C14H22O/c1-5-6-13-8-7-12(9-11(2)3)10-14(13)15-4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyBASGDDDZQZPVAN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.85
Rot. Bonds5

About 2-methoxy-4-(2-methylpropyl)-1-propylbenzene

2-methoxy-4-(2-methylpropyl)-1-propylbenzene (PubChem CID 90998331) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylpropyl)-1-propylbenzene.

Molecular Properties

Compound Name2-methoxy-4-(2-methylpropyl)-1-propylbenzene
PubChem CID90998331
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methoxy-4-(2-methylpropyl)-1-propylbenzene
SMILESCCCc1ccc(CC(C)C)cc1OC
InChIInChI=1S/C14H22O/c1-5-6-13-8-7-12(9-11(2)3)10-14(13)15-4/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyBASGDDDZQZPVAN-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
CID 54516875
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
3-[3-methoxy-4-(2-methylpropyl)phenyl]propanenitrile
CID 70814826
1-[2-methoxy-4-(2-methylpropyl)phenyl]pentan-1-ol
CID 19010736
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652316
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylpropyl)-1-propylbenzene?
The IUPAC name of 2-methoxy-4-(2-methylpropyl)-1-propylbenzene (CID 90998331) is 2-methoxy-4-(2-methylpropyl)-1-propylbenzene.
What is the SMILES notation for 2-methoxy-4-(2-methylpropyl)-1-propylbenzene?
The canonical SMILES for 2-methoxy-4-(2-methylpropyl)-1-propylbenzene is CCCc1ccc(CC(C)C)cc1OC.
What is the InChIKey of 2-methoxy-4-(2-methylpropyl)-1-propylbenzene?
The InChIKey is BASGDDDZQZPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-6-13-8-7-12(9-11(2)3)10-14(13)15-4/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-4-(2-methylpropyl)-1-propylbenzene?
2-methoxy-4-(2-methylpropyl)-1-propylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylpropyl)-1-propylbenzene is sourced from PubChem (CID 90998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).