1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene

C27H48O2 — CID 141321330

IUPAC1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
SMILESCOc1cccc(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1
InChIInChI=1S/C27H48O2/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)19-20-29-27-18-10-17-26(21-27)28-6/h10,17-18,21-25H,7-9,11-16,19-20H2,1-6H3
InChIKeyVJJCVECZIHNMEE-UHFFFAOYSA-N
MW404.68 g/mol
LogP8.54
Rot. Bonds17

About 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene

1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene (PubChem CID 141321330) has the molecular formula C27H48O2 and a molecular weight of 404.68 g/mol. Its IUPAC name is 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
PubChem CID141321330
Molecular FormulaC27H48O2
Molecular Weight404.68 g/mol
Exact Mass404.37
IUPAC Name1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
SMILESCOc1cccc(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1
InChIInChI=1S/C27H48O2/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)19-20-29-27-18-10-17-26(21-27)28-6/h10,17-18,21-25H,7-9,11-16,19-20H2,1-6H3
InChIKeyVJJCVECZIHNMEE-UHFFFAOYSA-N
XLogP8.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
CID 141001120
1-[1,2-dibromo-2-[3-(3,7-dimethyloctoxy)phenyl]ethenyl]-3-(3,7-dimethyloctoxy)benzene
CID 87315909
1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
CID 54179192
1,4-bis(bromomethyl)-2-[3-(3,7-dimethyloctoxy)phenoxy]benzene
CID 101223776
1-(3,7-dimethyloctoxy)-2-ethynyl-4-methoxybenzene
CID 101195403
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
4-methyl-1-[3-(3,7,11,15-tetramethylhexadecoxy)phenyl]pyrazolidin-3-one
CID 23393099
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene?
The IUPAC name of 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene (CID 141321330) is 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene.
What is the SMILES notation for 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene?
The canonical SMILES for 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene is COc1cccc(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1.
What is the InChIKey of 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene?
The InChIKey is VJJCVECZIHNMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O2/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)19-20-29-27-18-10-17-26(21-27)28-6/h10,17-18,21-25H,7-9,11-16,19-20H2,1-6H3.
What are the key properties of 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene?
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene has a molecular weight of 404.68 g/mol, XLogP of 8.54, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene is sourced from PubChem (CID 141321330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).