1-hexoxy-4-(2-methoxyethoxymethyl)benzene

C16H26O3 — CID 90322136

IUPAC1-hexoxy-4-(2-methoxyethoxymethyl)benzene
SMILESCCCCCCOc1ccc(COCCOC)cc1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-11-19-16-9-7-15(8-10-16)14-18-13-12-17-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeyZQZHNWWXCYEKSW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.81
Rot. Bonds11

About 1-hexoxy-4-(2-methoxyethoxymethyl)benzene

1-hexoxy-4-(2-methoxyethoxymethyl)benzene (PubChem CID 90322136) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-hexoxy-4-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-hexoxy-4-(2-methoxyethoxymethyl)benzene
PubChem CID90322136
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-hexoxy-4-(2-methoxyethoxymethyl)benzene
SMILESCCCCCCOc1ccc(COCCOC)cc1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-11-19-16-9-7-15(8-10-16)14-18-13-12-17-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeyZQZHNWWXCYEKSW-UHFFFAOYSA-N
XLogP3.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.81
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

2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
1-dodecoxy-4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 24749146
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-(methoxymethoxy)-4-[4-[4-(pentoxymethyl)phenyl]phenyl]benzene
CID 139620360
N-[(4-nonoxyphenyl)methoxy]methanamine
CID 22967514
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
(4-nonoxyphenyl)methyl carbamate
CID 154021041
1-[2-(4-decoxyphenyl)ethynyl]-3,5-bis[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]benzene
CID 101486311
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
1-hexoxy-4-pentylbenzene
CID 54277450

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-4-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 1-hexoxy-4-(2-methoxyethoxymethyl)benzene (CID 90322136) is 1-hexoxy-4-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 1-hexoxy-4-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 1-hexoxy-4-(2-methoxyethoxymethyl)benzene is CCCCCCOc1ccc(COCCOC)cc1.
What is the InChIKey of 1-hexoxy-4-(2-methoxyethoxymethyl)benzene?
The InChIKey is ZQZHNWWXCYEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-5-6-11-19-16-9-7-15(8-10-16)14-18-13-12-17-2/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 1-hexoxy-4-(2-methoxyethoxymethyl)benzene?
1-hexoxy-4-(2-methoxyethoxymethyl)benzene has a molecular weight of 266.38 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-4-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 90322136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).