CID 10876024

C18H18Cr2O2 — CID 10876024

IUPAC—
SMILESC[C@@H](OC(=[Cr])c1ccccc1)[C@@H](C)OC(=[Cr])c1ccccc1
InChIInChI=1S/C18H18O2.2Cr/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18;;/h3-12,15-16H,1-2H3;;/t15-,16-;;/m1../s1
InChIKeyKPIKLHVRTGXCLB-UWGSCQAASA-N
MW370.33 g/mol
LogP3.25
Rot. Bonds7

About CID 10876024

CID 10876024 (PubChem CID 10876024) has the molecular formula C18H18Cr2O2 and a molecular weight of 370.33 g/mol.

Molecular Properties

Compound NameCID 10876024
PubChem CID10876024
Molecular FormulaC18H18Cr2O2
Molecular Weight370.33 g/mol
Exact Mass370.01
IUPAC Name—
SMILESC[C@@H](OC(=[Cr])c1ccccc1)[C@@H](C)OC(=[Cr])c1ccccc1
InChIInChI=1S/C18H18O2.2Cr/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18;;/h3-12,15-16H,1-2H3;;/t15-,16-;;/m1../s1
InChIKeyKPIKLHVRTGXCLB-UWGSCQAASA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-benzoyloxy-2,2-difluorobutanoic acid
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CID 134930488
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
1,1,1-trichloropropan-2-yl benzoate
CID 569862
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
(2S,3R)-3-acetyloxy-2-benzoyloxybutanoic acid
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3-bromo-1-phenylbutane-1,2-dione
CID 23455643

Frequently Asked Questions

What is the IUPAC name of CID 10876024?
The IUPAC name of CID 10876024 (CID 10876024) is not available.
What is the SMILES notation for CID 10876024?
The canonical SMILES for CID 10876024 is C[C@@H](OC(=[Cr])c1ccccc1)[C@@H](C)OC(=[Cr])c1ccccc1.
What is the InChIKey of CID 10876024?
The InChIKey is KPIKLHVRTGXCLB-UWGSCQAASA-N. The full InChI is InChI=1S/C18H18O2.2Cr/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18;;/h3-12,15-16H,1-2H3;;/t15-,16-;;/m1../s1.
What are the key properties of CID 10876024?
CID 10876024 has a molecular weight of 370.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10876024 is sourced from PubChem (CID 10876024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).