1-butoxy-4-[(4-methoxyphenyl)methyl]benzene

C18H22O2 — CID 145063136

IUPAC1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
SMILESCCCCOc1ccc(Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22O2/c1-3-4-13-20-18-11-7-16(8-12-18)14-15-5-9-17(19-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyIILAWAZJRWBIDV-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.46
Rot. Bonds7

About 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene

1-butoxy-4-[(4-methoxyphenyl)methyl]benzene (PubChem CID 145063136) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
PubChem CID145063136
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
SMILESCCCCOc1ccc(Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22O2/c1-3-4-13-20-18-11-7-16(8-12-18)14-15-5-9-17(19-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyIILAWAZJRWBIDV-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.46
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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Related Compounds

1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
CID 144539206
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1,4-dipentoxybenzene
CID 18314717
1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
CID 58226263
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene (CID 145063136) is 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene is CCCCOc1ccc(Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is IILAWAZJRWBIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-4-13-20-18-11-7-16(8-12-18)14-15-5-9-17(19-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene?
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 145063136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).