2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid

C11H14O4 — CID 139765864

IUPAC2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid
SMILESC=C1C(OC)=C(OC)C=CC1CC(=O)O
InChIInChI=1S/C11H14O4/c1-7-8(6-10(12)13)4-5-9(14-2)11(7)15-3/h4-5,8H,1,6H2,2-3H3,(H,12,13)
InChIKeyGIJQYPZBNAUVDP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.71
Rot. Bonds4

About 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid

2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid (PubChem CID 139765864) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid
PubChem CID139765864
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid
SMILESC=C1C(OC)=C(OC)C=CC1CC(=O)O
InChIInChI=1S/C11H14O4/c1-7-8(6-10(12)13)4-5-9(14-2)11(7)15-3/h4-5,8H,1,6H2,2-3H3,(H,12,13)
InChIKeyGIJQYPZBNAUVDP-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Verbeofflin I
CID 101875571
2-(2-Ethyl-3-methoxycarbonyl-6-oxopyran-4-yl)acetic acid
CID 13814107
4-Hydroxy-3-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)propyl]-6-methylpyran-2-one
CID 54696250
3-(2H-pyran-3-yl)propanoic acid
CID 22114020
1,10a-Dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
CID 57260463
4-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)butanoic acid;hydrochloride
CID 67326647
(6S)-2-hydroxy-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 67630029
2-Hydroxy-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 67630031
2-(4,5-Dimethoxy-6-oxocyclohexa-2,4-dien-1-yl)acetic acid
CID 69698873
4-Methoxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxylic acid
CID 88132158
3-[4,5-Dimethoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]propanoic acid
CID 88322148
4-Methoxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carboxylic acid;hydrochloride
CID 88490292

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid (CID 139765864) is 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid is C=C1C(OC)=C(OC)C=CC1CC(=O)O.
What is the InChIKey of 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid?
The InChIKey is GIJQYPZBNAUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-8(6-10(12)13)4-5-9(14-2)11(7)15-3/h4-5,8H,1,6H2,2-3H3,(H,12,13).
What are the key properties of 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid?
2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetic acid is sourced from PubChem (CID 139765864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).