carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde

C35H34CrO8 — CID 11377165

IUPACcarbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
SMILESCOc1cc(C)cc2c(-c3c(C=O)cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C32H34O5.3CO.Cr/c1-20(2)36-25-16-24(18-33)31(30(17-25)37-21(3)4)26-12-13-28(35-19-23-10-8-7-9-11-23)32-27(26)14-22(5)15-29(32)34-6;3*1-2;/h7-18,20-21H,19H2,1-6H3;;;;
InChIKeyKRYGNOUBOHYOAX-UHFFFAOYSA-N
MW634.65 g/mol
LogP7.67
Rot. Bonds10

About carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde

carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde (PubChem CID 11377165) has the molecular formula C35H34CrO8 and a molecular weight of 634.65 g/mol. Its IUPAC name is carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
PubChem CID11377165
Molecular FormulaC35H34CrO8
Molecular Weight634.65 g/mol
Exact Mass634.17
IUPAC Namecarbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
SMILESCOc1cc(C)cc2c(-c3c(C=O)cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C32H34O5.3CO.Cr/c1-20(2)36-25-16-24(18-33)31(30(17-25)37-21(3)4)26-12-13-28(35-19-23-10-8-7-9-11-23)32-27(26)14-22(5)15-29(32)34-6;3*1-2;/h7-18,20-21H,19H2,1-6H3;;;;
InChIKeyKRYGNOUBOHYOAX-UHFFFAOYSA-N
XLogP7.67
TPSA113.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.65
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11455686
N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
CID 11730950
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
CID 10927384
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The IUPAC name of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde (CID 11377165) is carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde.
What is the SMILES notation for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The canonical SMILES for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde is COc1cc(C)cc2c(-c3c(C=O)cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The InChIKey is KRYGNOUBOHYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5.3CO.Cr/c1-20(2)36-25-16-24(18-33)31(30(17-25)37-21(3)4)26-12-13-28(35-19-23-10-8-7-9-11-23)32-27(26)14-22(5)15-29(32)34-6;3*1-2;/h7-18,20-21H,19H2,1-6H3;;;;.
What are the key properties of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde has a molecular weight of 634.65 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde is sourced from PubChem (CID 11377165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).