bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead

C14H14O8Pb — CID 172556014

IUPACbis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead
SMILESO=C(O[Pb]OC(=O)C1(O)C=CC(O)=CC1)C1(O)C=CC(O)=CC1
InChIInChI=1S/2C7H8O4.Pb/c2*8-5-1-3-7(11,4-2-5)6(9)10;/h2*1-3,8,11H,4H2,(H,9,10);/q;;+2/p-2
InChIKeyWOUINQJFBNVCPR-UHFFFAOYSA-L
MW517.46 g/mol
LogP-0.13
Rot. Bonds4

About bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead

bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead (PubChem CID 172556014) has the molecular formula C14H14O8Pb and a molecular weight of 517.46 g/mol. Its IUPAC name is bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead.

Molecular Properties

Compound Namebis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead
PubChem CID172556014
Molecular FormulaC14H14O8Pb
Molecular Weight517.46 g/mol
Exact Mass518.05
IUPAC Namebis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead
SMILESO=C(O[Pb]OC(=O)C1(O)C=CC(O)=CC1)C1(O)C=CC(O)=CC1
InChIInChI=1S/2C7H8O4.Pb/c2*8-5-1-3-7(11,4-2-5)6(9)10;/h2*1-3,8,11H,4H2,(H,9,10);/q;;+2/p-2
InChIKeyWOUINQJFBNVCPR-UHFFFAOYSA-L
XLogP-0.13
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,4-dihydroxycyclohexa-2,4-dien-1-yl)methanone
CID 141380895
lithium 1,4-dihydroxycyclohexa-2,4-diene-1-sulfonate
CID 172704496
bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
1-hydroxy-4-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 130655617
4-phenylcyclohexa-1,5-diene-1,4-diol
CID 22065259
4-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 66591586
4-hydroxy-1-nitrosocyclohexa-2,4-diene-1-carbaldehyde
CID 141495406
methyl 4-[[5-fluoro-2-[(4-hydroxy-4-methoxycarbonylcyclohexa-1,5-dien-1-yl)amino]pyrimidin-4-yl]amino]-1-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 142670000
4-[3-[[3-(1,4-dihydroxycyclohexa-2,4-dien-1-yl)oxiran-2-yl]methoxymethyl]oxiran-2-yl]cyclohexa-1,5-diene-1,4-diol
CID 139886951
[1-[amino(carboxy)methyl]-4-hydroxycyclohexa-2,4-dien-1-yl]-methylazanium
CID 163688740
(E)-3-(1-cyano-4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoic acid
CID 22595325
4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
CID 70440356

Frequently Asked Questions

What is the IUPAC name of bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead?
The IUPAC name of bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead (CID 172556014) is bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead.
What is the SMILES notation for bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead?
The canonical SMILES for bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead is O=C(O[Pb]OC(=O)C1(O)C=CC(O)=CC1)C1(O)C=CC(O)=CC1.
What is the InChIKey of bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead?
The InChIKey is WOUINQJFBNVCPR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O4.Pb/c2*8-5-1-3-7(11,4-2-5)6(9)10;/h2*1-3,8,11H,4H2,(H,9,10);/q;;+2/p-2.
What are the key properties of bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead?
bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead has a molecular weight of 517.46 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1,4-dihydroxycyclohexa-2,4-diene-1-carbonyl)oxy]lead is sourced from PubChem (CID 172556014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).