1-(3-methoxypropyl)-4-phenylmethoxybenzene

C17H20O2 — CID 70548198

IUPAC1-(3-methoxypropyl)-4-phenylmethoxybenzene
SMILESCOCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-18-13-5-8-15-9-11-17(12-10-15)19-14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyFYZOZQJPYSLDEX-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.84
Rot. Bonds7

About 1-(3-methoxypropyl)-4-phenylmethoxybenzene

1-(3-methoxypropyl)-4-phenylmethoxybenzene (PubChem CID 70548198) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-phenylmethoxybenzene
PubChem CID70548198
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-(3-methoxypropyl)-4-phenylmethoxybenzene
SMILESCOCCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-18-13-5-8-15-9-11-17(12-10-15)19-14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyFYZOZQJPYSLDEX-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.84
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-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
7-methoxyheptylbenzene
CID 54276867
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-methoxypropyl)-4-phenylmethoxybenzene (CID 70548198) is 1-(3-methoxypropyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methoxypropyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methoxypropyl)-4-phenylmethoxybenzene is COCCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-4-phenylmethoxybenzene?
The InChIKey is FYZOZQJPYSLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-18-13-5-8-15-9-11-17(12-10-15)19-14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-4-phenylmethoxybenzene?
1-(3-methoxypropyl)-4-phenylmethoxybenzene has a molecular weight of 256.34 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 70548198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).