CID 140694373

C24H20BClO8 — CID 140694373

IUPAC—
SMILES[B]OC(=O)c1c(OC=O)c(Cl)cc(OCc2ccc(OC)cc2)c1OCc1ccc(OC)cc1
InChIInChI=1S/C24H20BClO8/c1-29-17-7-3-15(4-8-17)12-31-20-11-19(26)22(33-14-27)21(24(28)34-25)23(20)32-13-16-5-9-18(30-2)10-6-16/h3-11,14H,12-13H2,1-2H3
InChIKeyZVEPHLMQRAAJOW-UHFFFAOYSA-N
MW482.68 g/mol
LogP4.29
Rot. Bonds11

About CID 140694373

CID 140694373 (PubChem CID 140694373) has the molecular formula C24H20BClO8 and a molecular weight of 482.68 g/mol.

Molecular Properties

Compound NameCID 140694373
PubChem CID140694373
Molecular FormulaC24H20BClO8
Molecular Weight482.68 g/mol
Exact Mass482.09
IUPAC Name—
SMILES[B]OC(=O)c1c(OC=O)c(Cl)cc(OCc2ccc(OC)cc2)c1OCc1ccc(OC)cc1
InChIInChI=1S/C24H20BClO8/c1-29-17-7-3-15(4-8-17)12-31-20-11-19(26)22(33-14-27)21(24(28)34-25)23(20)32-13-16-5-9-18(30-2)10-6-16/h3-11,14H,12-13H2,1-2H3
InChIKeyZVEPHLMQRAAJOW-UHFFFAOYSA-N
XLogP4.29
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.68
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 140694373 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

CID 140694349
CID 140694349
CID 90127617
CID 90127617
CID 90127615
CID 90127615
tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate
CID 90090423
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
3-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxylic acid
CID 68632314
6-amino-2-ethenyl-3,4-bis[(4-methoxyphenyl)methoxy]benzoic acid
CID 90127421
2-[2-[[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenoxy]methyl]phenyl]-3-methoxybut-2-enoic acid
CID 69303441
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989

Frequently Asked Questions

What is the IUPAC name of CID 140694373?
The IUPAC name of CID 140694373 (CID 140694373) is not available.
What is the SMILES notation for CID 140694373?
The canonical SMILES for CID 140694373 is [B]OC(=O)c1c(OC=O)c(Cl)cc(OCc2ccc(OC)cc2)c1OCc1ccc(OC)cc1.
What is the InChIKey of CID 140694373?
The InChIKey is ZVEPHLMQRAAJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BClO8/c1-29-17-7-3-15(4-8-17)12-31-20-11-19(26)22(33-14-27)21(24(28)34-25)23(20)32-13-16-5-9-18(30-2)10-6-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of CID 140694373?
CID 140694373 has a molecular weight of 482.68 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140694373 is sourced from PubChem (CID 140694373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).