6-methoxycyclohexa-2,4-diene-1-carboxylic acid

C8H10O3 — CID 147962697

IUPAC6-methoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESCOC1C=CC=CC1C(=O)O
InChIInChI=1S/C8H10O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-7H,1H3,(H,9,10)
InChIKeyIPUITGYSFUQNMX-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.83
Rot. Bonds2

About 6-methoxycyclohexa-2,4-diene-1-carboxylic acid

6-methoxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 147962697) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6-methoxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID147962697
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6-methoxycyclohexa-2,4-diene-1-carboxylic acid
SMILESCOC1C=CC=CC1C(=O)O
InChIInChI=1S/C8H10O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-7H,1H3,(H,9,10)
InChIKeyIPUITGYSFUQNMX-UHFFFAOYSA-N
XLogP0.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,4E,6S,8E,12E,14Z,17R,18Z)-3-ethylidene-17-methoxy-6,18,21-trimethyldocosa-4,8,12,14,18,20-hexaenoic acid
CID 16760134
(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-11-methyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-1-oxacyclooctadeca-5,9,13,15-tetraen-2-one
CID 177651160
6-Hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 10743959
1-Methoxyphenylacetic acid
CID 77684822
Methyl 6-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 123625865
6-Fluoro-6-methoxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 17977267
Ethyl 1,2,3-trifluoro-6-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 19434906
Ethyl 1,3-difluoro-6-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 22079696
6-Fluoro-6-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 90424136
6-(Cyclopent-3-en-1-ylmethoxy)-6-fluorocyclohexa-2,4-diene-1-carboxylic acid
CID 118111066
6-Fluoro-6-(1,1,1-trifluoropent-4-en-2-yloxy)cyclohexa-2,4-diene-1-carboxylic acid
CID 118307090
2,6-Difluoro-6-propoxycyclohexa-2,4-diene-1-carboxylic acid
CID 121304289

Frequently Asked Questions

What is the IUPAC name of 6-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-methoxycyclohexa-2,4-diene-1-carboxylic acid (CID 147962697) is 6-methoxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-methoxycyclohexa-2,4-diene-1-carboxylic acid is COC1C=CC=CC1C(=O)O.
What is the InChIKey of 6-methoxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is IPUITGYSFUQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-7H,1H3,(H,9,10).
What are the key properties of 6-methoxycyclohexa-2,4-diene-1-carboxylic acid?
6-methoxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 147962697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).