1-methoxy-4-(octoxymethyl)benzene

C16H26O2 — CID 11288168

IUPAC1-methoxy-4-(octoxymethyl)benzene
SMILESCCCCCCCCOCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-14-15-9-11-16(17-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3
InChIKeyUYQBQYJDWQIJEP-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.57
Rot. Bonds10

About 1-methoxy-4-(octoxymethyl)benzene

1-methoxy-4-(octoxymethyl)benzene (PubChem CID 11288168) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-methoxy-4-(octoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(octoxymethyl)benzene
PubChem CID11288168
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-methoxy-4-(octoxymethyl)benzene
SMILESCCCCCCCCOCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-14-15-9-11-16(17-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3
InChIKeyUYQBQYJDWQIJEP-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.57
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

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4-(hexoxymethyl)phenol
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1-methyl-4-(octoxymethyl)benzene
CID 86156710
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
1-methoxy-4-(undec-8-ynoxymethyl)benzene
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CID 25186279
1-(chloromethyl)-4-(dodecoxymethyl)benzene
CID 71367802
(4-methoxyphenyl)methoxy-dimethyl-pentadecoxysilane
CID 91711163
1-methoxy-4-tetradecoxybenzene
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1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(octoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(octoxymethyl)benzene (CID 11288168) is 1-methoxy-4-(octoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(octoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(octoxymethyl)benzene is CCCCCCCCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(octoxymethyl)benzene?
The InChIKey is UYQBQYJDWQIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-14-15-9-11-16(17-2)12-10-15/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of 1-methoxy-4-(octoxymethyl)benzene?
1-methoxy-4-(octoxymethyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(octoxymethyl)benzene is sourced from PubChem (CID 11288168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).