1-methoxy-4-(5-pentoxypentyl)benzene

C17H28O2 — CID 54554044

IUPAC1-methoxy-4-(5-pentoxypentyl)benzene
SMILESCCCCCOCCCCCc1ccc(OC)cc1
InChIInChI=1S/C17H28O2/c1-3-4-7-14-19-15-8-5-6-9-16-10-12-17(18-2)13-11-16/h10-13H,3-9,14-15H2,1-2H3
InChIKeyJNGFCQQXYQVHRC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds11

About 1-methoxy-4-(5-pentoxypentyl)benzene

1-methoxy-4-(5-pentoxypentyl)benzene (PubChem CID 54554044) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methoxy-4-(5-pentoxypentyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(5-pentoxypentyl)benzene
PubChem CID54554044
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-methoxy-4-(5-pentoxypentyl)benzene
SMILESCCCCCOCCCCCc1ccc(OC)cc1
InChIInChI=1S/C17H28O2/c1-3-4-7-14-19-15-8-5-6-9-16-10-12-17(18-2)13-11-16/h10-13H,3-9,14-15H2,1-2H3
InChIKeyJNGFCQQXYQVHRC-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
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-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-hexoxy-4-pentylbenzene
CID 54277450
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
10-butoxydecylbenzene
CID 151496754
5-pentoxypentylbenzene
CID 19046566
4-octadecoxybutylbenzene
CID 70977182
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(5-pentoxypentyl)benzene?
The IUPAC name of 1-methoxy-4-(5-pentoxypentyl)benzene (CID 54554044) is 1-methoxy-4-(5-pentoxypentyl)benzene.
What is the SMILES notation for 1-methoxy-4-(5-pentoxypentyl)benzene?
The canonical SMILES for 1-methoxy-4-(5-pentoxypentyl)benzene is CCCCCOCCCCCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(5-pentoxypentyl)benzene?
The InChIKey is JNGFCQQXYQVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-7-14-19-15-8-5-6-9-16-10-12-17(18-2)13-11-16/h10-13H,3-9,14-15H2,1-2H3.
What are the key properties of 1-methoxy-4-(5-pentoxypentyl)benzene?
1-methoxy-4-(5-pentoxypentyl)benzene has a molecular weight of 264.41 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(5-pentoxypentyl)benzene is sourced from PubChem (CID 54554044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).