1,2-dibutyl-4-methoxybenzene

C15H24O — CID 153315966

IUPAC1,2-dibutyl-4-methoxybenzene
SMILESCCCCc1ccc(OC)cc1CCCC
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16-3)12-14(13)9-7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyAGTNXVJBTPBXBX-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.38
Rot. Bonds7

About 1,2-dibutyl-4-methoxybenzene

1,2-dibutyl-4-methoxybenzene (PubChem CID 153315966) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,2-dibutyl-4-methoxybenzene.

Molecular Properties

Compound Name1,2-dibutyl-4-methoxybenzene
PubChem CID153315966
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,2-dibutyl-4-methoxybenzene
SMILESCCCCc1ccc(OC)cc1CCCC
InChIInChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16-3)12-14(13)9-7-5-2/h10-12H,4-9H2,1-3H3
InChIKeyAGTNXVJBTPBXBX-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-5-methoxybenzaldehyde
CID 10631601
N-[(2-butyl-5-methoxyphenyl)methyl]butanamide
CID 71107303
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
2-butyl-1-hex-1-ynyl-4-methoxybenzene
CID 10752845
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757
2-heptyl-4-methoxybenzoic acid
CID 174870119
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-4-methoxybenzene?
The IUPAC name of 1,2-dibutyl-4-methoxybenzene (CID 153315966) is 1,2-dibutyl-4-methoxybenzene.
What is the SMILES notation for 1,2-dibutyl-4-methoxybenzene?
The canonical SMILES for 1,2-dibutyl-4-methoxybenzene is CCCCc1ccc(OC)cc1CCCC.
What is the InChIKey of 1,2-dibutyl-4-methoxybenzene?
The InChIKey is AGTNXVJBTPBXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-6-8-13-10-11-15(16-3)12-14(13)9-7-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 1,2-dibutyl-4-methoxybenzene?
1,2-dibutyl-4-methoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-4-methoxybenzene is sourced from PubChem (CID 153315966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).