1-(dipropoxymethyl)-2-(4-methylphenyl)benzene

C20H26O2 — CID 139699193

IUPAC1-(dipropoxymethyl)-2-(4-methylphenyl)benzene
SMILESCCCOC(OCCC)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C20H26O2/c1-4-14-21-20(22-15-5-2)19-9-7-6-8-18(19)17-12-10-16(3)11-13-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyYAVXEMSVVCUHMM-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.51
Rot. Bonds8

About 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene

1-(dipropoxymethyl)-2-(4-methylphenyl)benzene (PubChem CID 139699193) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(dipropoxymethyl)-2-(4-methylphenyl)benzene
PubChem CID139699193
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-(dipropoxymethyl)-2-(4-methylphenyl)benzene
SMILESCCCOC(OCCC)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C20H26O2/c1-4-14-21-20(22-15-5-2)19-9-7-6-8-18(19)17-12-10-16(3)11-13-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyYAVXEMSVVCUHMM-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethyl)-2-(4-methylphenyl)benzene
CID 154426240
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
CID 129088325
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
(4-methylphenyl)-propoxymethanol
CID 142200249
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069190
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
4-ethoxy-2-(4-methylphenyl)-6-phenylphenol
CID 86012109
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404

Frequently Asked Questions

What is the IUPAC name of 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene?
The IUPAC name of 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene (CID 139699193) is 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene?
The canonical SMILES for 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene is CCCOC(OCCC)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene?
The InChIKey is YAVXEMSVVCUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-14-21-20(22-15-5-2)19-9-7-6-8-18(19)17-12-10-16(3)11-13-17/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene?
1-(dipropoxymethyl)-2-(4-methylphenyl)benzene has a molecular weight of 298.43 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropoxymethyl)-2-(4-methylphenyl)benzene is sourced from PubChem (CID 139699193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).