1-(4-methylpentoxy)-4-phenoxybenzene

C18H22O2 — CID 118535405

IUPAC1-(4-methylpentoxy)-4-phenoxybenzene
SMILESCC(C)CCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15(2)7-6-14-19-16-10-12-18(13-11-16)20-17-8-4-3-5-9-17/h3-5,8-13,15H,6-7,14H2,1-2H3
InChIKeyBNNWCQVSAMEOKS-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.29
Rot. Bonds7

About 1-(4-methylpentoxy)-4-phenoxybenzene

1-(4-methylpentoxy)-4-phenoxybenzene (PubChem CID 118535405) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(4-methylpentoxy)-4-phenoxybenzene
PubChem CID118535405
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(4-methylpentoxy)-4-phenoxybenzene
SMILESCC(C)CCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15(2)7-6-14-19-16-10-12-18(13-11-16)20-17-8-4-3-5-9-17/h3-5,8-13,15H,6-7,14H2,1-2H3
InChIKeyBNNWCQVSAMEOKS-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-(4-methylpentoxy)benzoic acid
CID 22645282
3-methylbutan-1-ol;phenoxybenzene
CID 175265119
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine
CID 55156686
[4-(chloromethyl)-6-methylheptoxy]benzene
CID 66033410
N-methyl-3-phenoxypropan-1-amine
CID 22067856

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-4-phenoxybenzene?
The IUPAC name of 1-(4-methylpentoxy)-4-phenoxybenzene (CID 118535405) is 1-(4-methylpentoxy)-4-phenoxybenzene.
What is the SMILES notation for 1-(4-methylpentoxy)-4-phenoxybenzene?
The canonical SMILES for 1-(4-methylpentoxy)-4-phenoxybenzene is CC(C)CCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylpentoxy)-4-phenoxybenzene?
The InChIKey is BNNWCQVSAMEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15(2)7-6-14-19-16-10-12-18(13-11-16)20-17-8-4-3-5-9-17/h3-5,8-13,15H,6-7,14H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)-4-phenoxybenzene?
1-(4-methylpentoxy)-4-phenoxybenzene has a molecular weight of 270.37 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-4-phenoxybenzene is sourced from PubChem (CID 118535405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).