1-phenoxy-4-(3-propoxypropoxy)benzene

C18H22O3 — CID 14353104

IUPAC1-phenoxy-4-(3-propoxypropoxy)benzene
SMILESCCCOCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3
InChIKeyLVHZXDFAVDDALO-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.67
Rot. Bonds9

About 1-phenoxy-4-(3-propoxypropoxy)benzene

1-phenoxy-4-(3-propoxypropoxy)benzene (PubChem CID 14353104) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-phenoxy-4-(3-propoxypropoxy)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(3-propoxypropoxy)benzene
PubChem CID14353104
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-phenoxy-4-(3-propoxypropoxy)benzene
SMILESCCCOCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3
InChIKeyLVHZXDFAVDDALO-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.67
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-benzyl-4-(3-propoxypropoxy)benzene
CID 14353109
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-pentoxyethoxybenzene
CID 54431229
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179
3-(3-propoxypropoxy)aniline
CID 43247836

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(3-propoxypropoxy)benzene?
The IUPAC name of 1-phenoxy-4-(3-propoxypropoxy)benzene (CID 14353104) is 1-phenoxy-4-(3-propoxypropoxy)benzene.
What is the SMILES notation for 1-phenoxy-4-(3-propoxypropoxy)benzene?
The canonical SMILES for 1-phenoxy-4-(3-propoxypropoxy)benzene is CCCOCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(3-propoxypropoxy)benzene?
The InChIKey is LVHZXDFAVDDALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-13-19-14-6-15-20-16-9-11-18(12-10-16)21-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3.
What are the key properties of 1-phenoxy-4-(3-propoxypropoxy)benzene?
1-phenoxy-4-(3-propoxypropoxy)benzene has a molecular weight of 286.37 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(3-propoxypropoxy)benzene is sourced from PubChem (CID 14353104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).