2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid

C12H14O3 — CID 57158187

IUPAC2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid
SMILESCC=c1cccc(C(O)C(=O)O)c1=CC
InChIInChI=1S/C12H14O3/c1-3-8-6-5-7-10(9(8)4-2)11(13)12(14)15/h3-7,11,13H,1-2H3,(H,14,15)
InChIKeySSUBFTXTMBNRPL-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.41
Rot. Bonds2

About 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid

2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid (PubChem CID 57158187) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid
PubChem CID57158187
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid
SMILESCC=c1cccc(C(O)C(=O)O)c1=CC
InChIInChI=1S/C12H14O3/c1-3-8-6-5-7-10(9(8)4-2)11(13)12(14)15/h3-7,11,13H,1-2H3,(H,14,15)
InChIKeySSUBFTXTMBNRPL-UHFFFAOYSA-N
XLogP0.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Cyclohex-1-en-1-yl)-2-hydroxyacetic acid
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(9R)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 162878950
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(6Z,10E,12Z)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 10379717
(6Z,9Z,13E,15Z)-12-hydroxyoctadeca-6,9,13,15-tetraenoic acid
CID 44222905
(6Z,10E,12Z,15Z)-9-hydroxyoctadeca-6,10,12,15-tetraenoic acid
CID 44222906
(6Z,9Z,11E,15Z)-13-hydroxyoctadeca-6,9,11,15-tetraenoic acid
CID 44222907
1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate
CID 441149
10,11-Dihydroxyoctadeca-6,8,12-trienoic acid
CID 6439106
3,4-Dihydro-mandelic acid
CID 18681235

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid (CID 57158187) is 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid is CC=c1cccc(C(O)C(=O)O)c1=CC.
What is the InChIKey of 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid?
The InChIKey is SSUBFTXTMBNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-8-6-5-7-10(9(8)4-2)11(13)12(14)15/h3-7,11,13H,1-2H3,(H,14,15).
What are the key properties of 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid?
2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid has a molecular weight of 206.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 57158187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).