carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium

C14H13ClCrO7 — CID 11485819

IUPACcarbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium
SMILESCOc1cc(OC)c(Cl)c(C2OCCO2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H13ClO4.3CO.Cr/c1-13-7-5-8(11-15-3-4-16-11)10(12)9(6-7)14-2;3*1-2;/h5-6,11H,3-4H2,1-2H3;;;;
InChIKeyWUNSZEMRLQACNU-UHFFFAOYSA-N
MW380.70 g/mol
LogP2.29
Rot. Bonds3

About carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium

carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium (PubChem CID 11485819) has the molecular formula C14H13ClCrO7 and a molecular weight of 380.70 g/mol. Its IUPAC name is carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium.

Molecular Properties

Compound Namecarbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium
PubChem CID11485819
Molecular FormulaC14H13ClCrO7
Molecular Weight380.70 g/mol
Exact Mass379.98
IUPAC Namecarbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium
SMILESCOc1cc(OC)c(Cl)c(C2OCCO2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H13ClO4.3CO.Cr/c1-13-7-5-8(11-15-3-4-16-11)10(12)9(6-7)14-2;3*1-2;/h5-6,11H,3-4H2,1-2H3;;;;
InChIKeyWUNSZEMRLQACNU-UHFFFAOYSA-N
XLogP2.29
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dioxolan-2-yl)-5,7-dimethoxychromen-2-one
CID 10934753
2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
CID 138376231
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
CID 83957634
2-(2-bromo-5-methoxy-3-phenylmethoxyphenyl)-1,3-dioxane
CID 15127298
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
CID 141347456
2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
CID 11086922
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
CID 22106606
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
(2-chloro-3,5-dimethoxyphenyl)-trifluoroboranuide
CID 167721769
2-(2,4-dimethoxyphenyl)-3-methylmorpholine
CID 82291917
(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
CID 70472623

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium?
The IUPAC name of carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium (CID 11485819) is carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium.
What is the SMILES notation for carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium?
The canonical SMILES for carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium is COc1cc(OC)c(Cl)c(C2OCCO2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium?
The InChIKey is WUNSZEMRLQACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4.3CO.Cr/c1-13-7-5-8(11-15-3-4-16-11)10(12)9(6-7)14-2;3*1-2;/h5-6,11H,3-4H2,1-2H3;;;;.
What are the key properties of carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium?
carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium has a molecular weight of 380.70 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium is sourced from PubChem (CID 11485819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).