CID 18970879

C32H38O7 — CID 18970879

IUPAC—
SMILESO=C(OC1C2(O)C3(CCCCC3)C2(O)C(OCc2ccccc2)C2(O)C3(CCCCC3)C12O)c1ccccc1
InChIInChI=1S/C32H38O7/c33-24(23-15-7-2-8-16-23)39-26-31(36)27(17-9-3-10-18-27)29(31,34)25(38-21-22-13-5-1-6-14-22)30(35)28(32(26,30)37)19-11-4-12-20-28/h1-2,5-8,13-16,25-26,34-37H,3-4,9-12,17-21H2
InChIKeyBVWMJXJLWRENIM-UHFFFAOYSA-N
MW534.65 g/mol
LogP3.66
Rot. Bonds5

About CID 18970879

CID 18970879 (PubChem CID 18970879) has the molecular formula C32H38O7 and a molecular weight of 534.65 g/mol.

Molecular Properties

Compound NameCID 18970879
PubChem CID18970879
Molecular FormulaC32H38O7
Molecular Weight534.65 g/mol
Exact Mass534.26
IUPAC Name—
SMILESO=C(OC1C2(O)C3(CCCCC3)C2(O)C(OCc2ccccc2)C2(O)C3(CCCCC3)C12O)c1ccccc1
InChIInChI=1S/C32H38O7/c33-24(23-15-7-2-8-16-23)39-26-31(36)27(17-9-3-10-18-27)29(31,34)25(38-21-22-13-5-1-6-14-22)30(35)28(32(26,30)37)19-11-4-12-20-28/h1-2,5-8,13-16,25-26,34-37H,3-4,9-12,17-21H2
InChIKeyBVWMJXJLWRENIM-UHFFFAOYSA-N
XLogP3.66
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze CID 18970879 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

[(2S,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phenylmethoxy)cyclohexyl] benzoate
CID 71612996
[(2S,3S,5S,6R)-3,4,5-trihydroxy-2,6-bis(phenylmethoxy)cyclohexyl] benzoate
CID 10863559
[(1S,2S,3R,4S,5S,6R)-2-fluoro-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate
CID 11764800
[(1S,2S,3R,4R,6S)-3-benzoyloxy-2,5-dihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] 4-phenylbenzoate
CID 177482281
[(2S,6S)-2,4,6-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168602
[(3R,4R,5R,6R)-4,5-dibenzoyloxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 45050684
[(1R,4R,5R,6S,7R)-4,6-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate
CID 154033714
[(3S,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 102458437
[(1R,2S,3R,5S)-2,3,5-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168606
[(2S,3S,5R)-6-hydroxy-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 57333728
[(1R,4R,5R,6S,7R)-4-hydroxy-6-phenylmethoxy-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate
CID 154033717
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] 4-phenylbenzoate
CID 101358027

Frequently Asked Questions

What is the IUPAC name of CID 18970879?
The IUPAC name of CID 18970879 (CID 18970879) is not available.
What is the SMILES notation for CID 18970879?
The canonical SMILES for CID 18970879 is O=C(OC1C2(O)C3(CCCCC3)C2(O)C(OCc2ccccc2)C2(O)C3(CCCCC3)C12O)c1ccccc1.
What is the InChIKey of CID 18970879?
The InChIKey is BVWMJXJLWRENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O7/c33-24(23-15-7-2-8-16-23)39-26-31(36)27(17-9-3-10-18-27)29(31,34)25(38-21-22-13-5-1-6-14-22)30(35)28(32(26,30)37)19-11-4-12-20-28/h1-2,5-8,13-16,25-26,34-37H,3-4,9-12,17-21H2.
What are the key properties of CID 18970879?
CID 18970879 has a molecular weight of 534.65 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18970879 is sourced from PubChem (CID 18970879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).