4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol

C14H14O4S — CID 141036187

IUPAC4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(S(=O)(=O)C2=CC(=C)C(O)C=C2)C=CC1O
InChIInChI=1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,13-16H,1-2H2
InChIKeyZYDYIBWYYQZIIF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.14
Rot. Bonds2

About 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol

4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol (PubChem CID 141036187) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol
PubChem CID141036187
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(S(=O)(=O)C2=CC(=C)C(O)C=C2)C=CC1O
InChIInChI=1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,13-16H,1-2H2
InChIKeyZYDYIBWYYQZIIF-UHFFFAOYSA-N
XLogP1.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

4,4-Dihydroxyphenyl sulfone
CID 67530283
4,4-Dihydroxybenzyl sulfone
CID 129825290
(3R,7S)-3-methyl-1,1-dioxo-3,4,7,8-tetrahydro-2,1lambda6-benzoxathiin-7-ol
CID 135039873
4-(3,4,4-Trihydroxycyclohexa-1,5-dien-1-yl)sulfinylcyclohexa-3,5-diene-1,1,2-triol
CID 67820682
4-(3,4,4-Trihydroxycyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,1,2-triol
CID 67821005
1-(1,4-Dihydroxycyclohexa-2,5-dien-1-yl)sulfonylcyclohexa-2,5-diene-1,4-diol
CID 68009399
4-(1,4-Dihydroxycyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,5-diene-1,4-diol
CID 68009400
6-(6-Hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-ol
CID 70250338
2,3-dihydroxy-3H-naphthalene-2,7-disulfonic acid
CID 87126447
2,5-Dihydroxy-6-methylidenecyclohexa-1,3-diene-1-sulfonic acid
CID 87696287
6-Hydroxy-4,6-dihydronaphthalene-2-sulfonic acid
CID 88604068
4-Ethyl-6-sulfonylcyclohexa-2,4-dien-1-ol
CID 88778311

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol (CID 141036187) is 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol is C=C1C=C(S(=O)(=O)C2=CC(=C)C(O)C=C2)C=CC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol?
The InChIKey is ZYDYIBWYYQZIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8,13-16H,1-2H2.
What are the key properties of 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol?
4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol has a molecular weight of 278.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)sulfonyl-6-methylidenecyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141036187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).