4-methoxybenzoic acid;1-methoxy-4-methylbenzene

C16H18O4 — CID 18916324

IUPAC4-methoxybenzoic acid;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C(=O)O)cc1.COc1ccc(C)cc1
InChIInChI=1S/C8H8O3.C8H10O/c1-11-7-4-2-6(3-5-7)8(9)10;1-7-3-5-8(9-2)6-4-7/h2-5H,1H3,(H,9,10);3-6H,1-2H3
InChIKeyJKRMQZGLLDTEDY-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.40
Rot. Bonds3

About 4-methoxybenzoic acid;1-methoxy-4-methylbenzene

4-methoxybenzoic acid;1-methoxy-4-methylbenzene (PubChem CID 18916324) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxybenzoic acid;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name4-methoxybenzoic acid;1-methoxy-4-methylbenzene
PubChem CID18916324
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name4-methoxybenzoic acid;1-methoxy-4-methylbenzene
SMILESCOc1ccc(C(=O)O)cc1.COc1ccc(C)cc1
InChIInChI=1S/C8H8O3.C8H10O/c1-11-7-4-2-6(3-5-7)8(9)10;1-7-3-5-8(9-2)6-4-7/h2-5H,1H3,(H,9,10);3-6H,1-2H3
InChIKeyJKRMQZGLLDTEDY-UHFFFAOYSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxybenzoic acid;1-methoxy-4-methylbenzene 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

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzoic acid;1-methoxy-4-methylbenzene?
The IUPAC name of 4-methoxybenzoic acid;1-methoxy-4-methylbenzene (CID 18916324) is 4-methoxybenzoic acid;1-methoxy-4-methylbenzene.
What is the SMILES notation for 4-methoxybenzoic acid;1-methoxy-4-methylbenzene?
The canonical SMILES for 4-methoxybenzoic acid;1-methoxy-4-methylbenzene is COc1ccc(C(=O)O)cc1.COc1ccc(C)cc1.
What is the InChIKey of 4-methoxybenzoic acid;1-methoxy-4-methylbenzene?
The InChIKey is JKRMQZGLLDTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C8H10O/c1-11-7-4-2-6(3-5-7)8(9)10;1-7-3-5-8(9-2)6-4-7/h2-5H,1H3,(H,9,10);3-6H,1-2H3.
What are the key properties of 4-methoxybenzoic acid;1-methoxy-4-methylbenzene?
4-methoxybenzoic acid;1-methoxy-4-methylbenzene has a molecular weight of 274.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzoic acid;1-methoxy-4-methylbenzene is sourced from PubChem (CID 18916324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).