1,2-diphenoxy-3-propylbenzene

C21H20O2 — CID 18381159

IUPAC1,2-diphenoxy-3-propylbenzene
SMILESCCCc1cccc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H20O2/c1-2-10-17-11-9-16-20(22-18-12-5-3-6-13-18)21(17)23-19-14-7-4-8-15-19/h3-9,11-16H,2,10H2,1H3
InChIKeyJVLBEBRQHYKCTE-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.22
Rot. Bonds6

About 1,2-diphenoxy-3-propylbenzene

1,2-diphenoxy-3-propylbenzene (PubChem CID 18381159) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,2-diphenoxy-3-propylbenzene.

Molecular Properties

Compound Name1,2-diphenoxy-3-propylbenzene
PubChem CID18381159
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name1,2-diphenoxy-3-propylbenzene
SMILESCCCc1cccc(Oc2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H20O2/c1-2-10-17-11-9-16-20(22-18-12-5-3-6-13-18)21(17)23-19-14-7-4-8-15-19/h3-9,11-16H,2,10H2,1H3
InChIKeyJVLBEBRQHYKCTE-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
1-pentadecyl-2-phenoxybenzene
CID 101290758
1-phenylperoxy-2,3-dipropylbenzene
CID 56612441
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
[3-[2-(dimethylamino)ethyl]-2-phenoxyphenyl] propanoate
CID 174774680
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
3-ethyl-2-phenoxyphenol
CID 66865882
1-(4-fluorophenoxy)-3-[4-(4-fluorophenyl)-4-methylhex-5-ynyl]-2-phenoxybenzene
CID 88646618
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-(2-phenoxyphenyl)ethanethiol
CID 164663876
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenoxy-3-propylbenzene?
The IUPAC name of 1,2-diphenoxy-3-propylbenzene (CID 18381159) is 1,2-diphenoxy-3-propylbenzene.
What is the SMILES notation for 1,2-diphenoxy-3-propylbenzene?
The canonical SMILES for 1,2-diphenoxy-3-propylbenzene is CCCc1cccc(Oc2ccccc2)c1Oc1ccccc1.
What is the InChIKey of 1,2-diphenoxy-3-propylbenzene?
The InChIKey is JVLBEBRQHYKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-2-10-17-11-9-16-20(22-18-12-5-3-6-13-18)21(17)23-19-14-7-4-8-15-19/h3-9,11-16H,2,10H2,1H3.
What are the key properties of 1,2-diphenoxy-3-propylbenzene?
1,2-diphenoxy-3-propylbenzene has a molecular weight of 304.39 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenoxy-3-propylbenzene is sourced from PubChem (CID 18381159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).