1-pentyl-3-(4-propylphenoxy)benzene

C20H26O — CID 58062247

IUPAC1-pentyl-3-(4-propylphenoxy)benzene
SMILESCCCCCc1cccc(Oc2ccc(CCC)cc2)c1
InChIInChI=1S/C20H26O/c1-3-5-6-9-18-10-7-11-20(16-18)21-19-14-12-17(8-4-2)13-15-19/h7,10-16H,3-6,8-9H2,1-2H3
InChIKeyCKDPOSKGRPABPC-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.16
Rot. Bonds8

About 1-pentyl-3-(4-propylphenoxy)benzene

1-pentyl-3-(4-propylphenoxy)benzene (PubChem CID 58062247) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-pentyl-3-(4-propylphenoxy)benzene.

Molecular Properties

Compound Name1-pentyl-3-(4-propylphenoxy)benzene
PubChem CID58062247
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-pentyl-3-(4-propylphenoxy)benzene
SMILESCCCCCc1cccc(Oc2ccc(CCC)cc2)c1
InChIInChI=1S/C20H26O/c1-3-5-6-9-18-10-7-11-20(16-18)21-19-14-12-17(8-4-2)13-15-19/h7,10-16H,3-6,8-9H2,1-2H3
InChIKeyCKDPOSKGRPABPC-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodopropyl)-3-(4-propylphenoxy)benzene
CID 25223077
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
1-methoxy-3-nonadecylbenzene
CID 154507578
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(4-propylphenoxy)benzene?
The IUPAC name of 1-pentyl-3-(4-propylphenoxy)benzene (CID 58062247) is 1-pentyl-3-(4-propylphenoxy)benzene.
What is the SMILES notation for 1-pentyl-3-(4-propylphenoxy)benzene?
The canonical SMILES for 1-pentyl-3-(4-propylphenoxy)benzene is CCCCCc1cccc(Oc2ccc(CCC)cc2)c1.
What is the InChIKey of 1-pentyl-3-(4-propylphenoxy)benzene?
The InChIKey is CKDPOSKGRPABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-5-6-9-18-10-7-11-20(16-18)21-19-14-12-17(8-4-2)13-15-19/h7,10-16H,3-6,8-9H2,1-2H3.
What are the key properties of 1-pentyl-3-(4-propylphenoxy)benzene?
1-pentyl-3-(4-propylphenoxy)benzene has a molecular weight of 282.43 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(4-propylphenoxy)benzene is sourced from PubChem (CID 58062247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).