1-(butoxymethoxy)-3-methoxybenzene

C12H18O3 — CID 142960722

IUPAC1-(butoxymethoxy)-3-methoxybenzene
SMILESCCCCOCOc1cccc(OC)c1
InChIInChI=1S/C12H18O3/c1-3-4-8-14-10-15-12-7-5-6-11(9-12)13-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyQLQVKFXUNPRDBK-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.85
Rot. Bonds7

About 1-(butoxymethoxy)-3-methoxybenzene

1-(butoxymethoxy)-3-methoxybenzene (PubChem CID 142960722) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(butoxymethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(butoxymethoxy)-3-methoxybenzene
PubChem CID142960722
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(butoxymethoxy)-3-methoxybenzene
SMILESCCCCOCOc1cccc(OC)c1
InChIInChI=1S/C12H18O3/c1-3-4-8-14-10-15-12-7-5-6-11(9-12)13-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyQLQVKFXUNPRDBK-UHFFFAOYSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butyl-[2-(3-methoxyphenoxy)ethyl]azanium
CID 2262768
hexatriacontoxymethoxybenzene
CID 21131247
nonoxymethoxybenzene
CID 151123684
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
1,3-dihexadecoxybenzene
CID 12686834
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-cyclopropyl-3-(propoxymethoxy)benzene
CID 70085306
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
2-butoxyethyl 3-methoxybenzenecarboperoxoate
CID 173266917

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)-3-methoxybenzene?
The IUPAC name of 1-(butoxymethoxy)-3-methoxybenzene (CID 142960722) is 1-(butoxymethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(butoxymethoxy)-3-methoxybenzene?
The canonical SMILES for 1-(butoxymethoxy)-3-methoxybenzene is CCCCOCOc1cccc(OC)c1.
What is the InChIKey of 1-(butoxymethoxy)-3-methoxybenzene?
The InChIKey is QLQVKFXUNPRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-4-8-14-10-15-12-7-5-6-11(9-12)13-2/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(butoxymethoxy)-3-methoxybenzene?
1-(butoxymethoxy)-3-methoxybenzene has a molecular weight of 210.27 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)-3-methoxybenzene is sourced from PubChem (CID 142960722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).