1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene

C23H32O2 — CID 141001120

IUPAC1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(OCCC(C)CCCC(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-18(2)7-5-8-19(3)15-16-25-23-10-6-9-21(17-23)20-11-13-22(24-4)14-12-20/h6,9-14,17-19H,5,7-8,15-16H2,1-4H3
InChIKeyUHRHYUDAPNIEDT-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.59
Rot. Bonds10

About 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene

1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene (PubChem CID 141001120) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
PubChem CID141001120
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(OCCC(C)CCCC(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-18(2)7-5-8-19(3)15-16-25-23-10-6-9-21(17-23)20-11-13-22(24-4)14-12-20/h6,9-14,17-19H,5,7-8,15-16H2,1-4H3
InChIKeyUHRHYUDAPNIEDT-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
1-[1,2-dibromo-2-[3-(3,7-dimethyloctoxy)phenyl]ethenyl]-3-(3,7-dimethyloctoxy)benzene
CID 87315909
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
CID 54179192
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
[3-[4-(3,7-dimethyloctoxy)phenyl]-4-(phosphanylmethyl)phenyl]-methylphosphane
CID 88589671
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
1-(3,7-dimethyloctoxy)-2-ethynyl-4-methoxybenzene
CID 101195403
1-(chloromethyl)-2-[4-(3,7-dimethyloctoxy)phenyl]benzene
CID 18177604
1-(3,7-dimethyloctoxy)-4-(2-ethynylphenyl)benzene
CID 101132729

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene?
The IUPAC name of 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene (CID 141001120) is 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene is COc1ccc(-c2cccc(OCCC(C)CCCC(C)C)c2)cc1.
What is the InChIKey of 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene?
The InChIKey is UHRHYUDAPNIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-18(2)7-5-8-19(3)15-16-25-23-10-6-9-21(17-23)20-11-13-22(24-4)14-12-20/h6,9-14,17-19H,5,7-8,15-16H2,1-4H3.
What are the key properties of 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene?
1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene has a molecular weight of 340.51 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene is sourced from PubChem (CID 141001120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).