1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene

C19H32O2 — CID 22749891

IUPAC1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
SMILESCCc1ccc(OCCC(C)CCCC(C)(C)OC)cc1
InChIInChI=1S/C19H32O2/c1-6-17-9-11-18(12-10-17)21-15-13-16(2)8-7-14-19(3,4)20-5/h9-12,16H,6-8,13-15H2,1-5H3
InChIKeyUCLDQKQEBWKQSD-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.25
Rot. Bonds10

About 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene

1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene (PubChem CID 22749891) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
PubChem CID22749891
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
SMILESCCc1ccc(OCCC(C)CCCC(C)(C)OC)cc1
InChIInChI=1S/C19H32O2/c1-6-17-9-11-18(12-10-17)21-15-13-16(2)8-7-14-19(3,4)20-5/h9-12,16H,6-8,13-15H2,1-5H3
InChIKeyUCLDQKQEBWKQSD-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol
CID 154186424
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032329
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
(2S)-2-amino-3-methyl-2-[2-[4-(3-methyloctoxy)phenyl]ethyl]butan-1-ol
CID 67609110
5-(4-ethylphenoxy)-2,2-dimethylpentanoic acid
CID 22891666
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene?
The IUPAC name of 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene (CID 22749891) is 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene?
The canonical SMILES for 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene is CCc1ccc(OCCC(C)CCCC(C)(C)OC)cc1.
What is the InChIKey of 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene?
The InChIKey is UCLDQKQEBWKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-6-17-9-11-18(12-10-17)21-15-13-16(2)8-7-14-19(3,4)20-5/h9-12,16H,6-8,13-15H2,1-5H3.
What are the key properties of 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene?
1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene has a molecular weight of 292.46 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene is sourced from PubChem (CID 22749891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).