1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene

C18H22O3 — CID 59224132

IUPAC1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
SMILESCOCCCOc1cc(C)cc(OCc2ccccc2)c1
InChIInChI=1S/C18H22O3/c1-15-11-17(20-10-6-9-19-2)13-18(12-15)21-14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3
InChIKeyMXUJOXCSQKGEGH-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.99
Rot. Bonds8

About 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene

1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene (PubChem CID 59224132) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
PubChem CID59224132
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
SMILESCOCCCOc1cc(C)cc(OCc2ccccc2)c1
InChIInChI=1S/C18H22O3/c1-15-11-17(20-10-6-9-19-2)13-18(12-15)21-14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3
InChIKeyMXUJOXCSQKGEGH-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
CID 59223964
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene?
The IUPAC name of 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene (CID 59224132) is 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene is COCCCOc1cc(C)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene?
The InChIKey is MXUJOXCSQKGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-15-11-17(20-10-6-9-19-2)13-18(12-15)21-14-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3.
What are the key properties of 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene?
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene has a molecular weight of 286.37 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene is sourced from PubChem (CID 59224132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).