ethane;4-methoxy-2,5-dimethylbenzoic acid

C12H18O3 — CID 145075043

IUPACethane;4-methoxy-2,5-dimethylbenzoic acid
SMILESCC.COc1cc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H12O3.C2H6/c1-6-5-9(13-3)7(2)4-8(6)10(11)12;1-2/h4-5H,1-3H3,(H,11,12);1-2H3
InChIKeyUKILRGAIXYJGGB-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.04
Rot. Bonds2

About ethane;4-methoxy-2,5-dimethylbenzoic acid

ethane;4-methoxy-2,5-dimethylbenzoic acid (PubChem CID 145075043) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethane;4-methoxy-2,5-dimethylbenzoic acid.

Molecular Properties

Compound Nameethane;4-methoxy-2,5-dimethylbenzoic acid
PubChem CID145075043
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethane;4-methoxy-2,5-dimethylbenzoic acid
SMILESCC.COc1cc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H12O3.C2H6/c1-6-5-9(13-3)7(2)4-8(6)10(11)12;1-2/h4-5H,1-3H3,(H,11,12);1-2H3
InChIKeyUKILRGAIXYJGGB-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
4-hydroxy-5-methoxy-7-methyl-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
CID 130407749
4-(bromomethyl)-5-methoxy-2-methylbenzoic acid
CID 91311963
4-methoxy-2,5-dimethylbenzoyl cyanide
CID 116918954
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
1-(4-methoxy-2,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129213
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
2,2,3,3,3-pentafluoro-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 114038350

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2,5-dimethylbenzoic acid?
The IUPAC name of ethane;4-methoxy-2,5-dimethylbenzoic acid (CID 145075043) is ethane;4-methoxy-2,5-dimethylbenzoic acid.
What is the SMILES notation for ethane;4-methoxy-2,5-dimethylbenzoic acid?
The canonical SMILES for ethane;4-methoxy-2,5-dimethylbenzoic acid is CC.COc1cc(C)c(C(=O)O)cc1C.
What is the InChIKey of ethane;4-methoxy-2,5-dimethylbenzoic acid?
The InChIKey is UKILRGAIXYJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C2H6/c1-6-5-9(13-3)7(2)4-8(6)10(11)12;1-2/h4-5H,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;4-methoxy-2,5-dimethylbenzoic acid?
ethane;4-methoxy-2,5-dimethylbenzoic acid has a molecular weight of 210.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2,5-dimethylbenzoic acid is sourced from PubChem (CID 145075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).