1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid

C25H26O6 — CID 22421309

IUPAC1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
SMILESCOc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H20O2.C8H6O4/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h5-12H,1-4H3;1-4H,(H,9,10)(H,11,12)
InChIKeyNHGNOOUQNBQHFY-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.11
Rot. Bonds6

About 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid

1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid (PubChem CID 22421309) has the molecular formula C25H26O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
PubChem CID22421309
Molecular FormulaC25H26O6
Molecular Weight422.48 g/mol
Exact Mass422.17
IUPAC Name1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
SMILESCOc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H20O2.C8H6O4/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h5-12H,1-4H3;1-4H,(H,9,10)(H,11,12)
InChIKeyNHGNOOUQNBQHFY-UHFFFAOYSA-N
XLogP5.11
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-[4-[2-[4-(4-carboxyphenyl)phenyl]propan-2-yl]phenyl]benzoic acid
CID 158031845
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
CID 16732361
CID 16732361
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
4-methoxybenzoic acid;pyridine
CID 174860408
ethane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] ethaneperoxoate
CID 91574061

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid?
The IUPAC name of 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid (CID 22421309) is 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid.
What is the SMILES notation for 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid?
The canonical SMILES for 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid is COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid?
The InChIKey is NHGNOOUQNBQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C8H6O4/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;9-7(10)5-1-2-6(4-3-5)8(11)12/h5-12H,1-4H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid?
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid has a molecular weight of 422.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid is sourced from PubChem (CID 22421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).