1-methyl-4-[phenyl(propoxy)methyl]benzene

C17H20O — CID 54382280

IUPAC1-methyl-4-[phenyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H20O/c1-3-13-18-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3
InChIKeyWZABBDHLZQZAIV-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.51
Rot. Bonds5

About 1-methyl-4-[phenyl(propoxy)methyl]benzene

1-methyl-4-[phenyl(propoxy)methyl]benzene (PubChem CID 54382280) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-4-[phenyl(propoxy)methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[phenyl(propoxy)methyl]benzene
PubChem CID54382280
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-methyl-4-[phenyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H20O/c1-3-13-18-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3
InChIKeyWZABBDHLZQZAIV-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
(4-methylphenyl)-propoxymethanol
CID 142200249
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
CID 23276329
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731
bis[2-[phenyl(propoxy)methyl]phenyl]methanone
CID 153325745
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[phenyl(propoxy)methyl]benzene?
The IUPAC name of 1-methyl-4-[phenyl(propoxy)methyl]benzene (CID 54382280) is 1-methyl-4-[phenyl(propoxy)methyl]benzene.
What is the SMILES notation for 1-methyl-4-[phenyl(propoxy)methyl]benzene?
The canonical SMILES for 1-methyl-4-[phenyl(propoxy)methyl]benzene is CCCOC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[phenyl(propoxy)methyl]benzene?
The InChIKey is WZABBDHLZQZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-13-18-17(15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3.
What are the key properties of 1-methyl-4-[phenyl(propoxy)methyl]benzene?
1-methyl-4-[phenyl(propoxy)methyl]benzene has a molecular weight of 240.35 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[phenyl(propoxy)methyl]benzene is sourced from PubChem (CID 54382280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).