methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate

C35H36O8 — CID 156852937

IUPACmethyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
SMILESCCOc1cc(OCCOCCO)ccc1C1(c2ccccc2)C=Cc2c(C(=O)OC)c(C)c3ccc(OC)cc3c2O1
InChIInChI=1S/C35H36O8/c1-5-41-31-22-26(42-20-19-40-18-17-36)12-14-30(31)35(24-9-7-6-8-10-24)16-15-28-32(34(37)39-4)23(2)27-13-11-25(38-3)21-29(27)33(28)43-35/h6-16,21-22,36H,5,17-20H2,1-4H3
InChIKeyHBMWHNZAZBNDKW-UHFFFAOYSA-N
MW584.66 g/mol
LogP6.08
Rot. Bonds12

About methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate

methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate (PubChem CID 156852937) has the molecular formula C35H36O8 and a molecular weight of 584.66 g/mol. Its IUPAC name is methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
PubChem CID156852937
Molecular FormulaC35H36O8
Molecular Weight584.66 g/mol
Exact Mass584.24
IUPAC Namemethyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
SMILESCCOc1cc(OCCOCCO)ccc1C1(c2ccccc2)C=Cc2c(C(=O)OC)c(C)c3ccc(OC)cc3c2O1
InChIInChI=1S/C35H36O8/c1-5-41-31-22-26(42-20-19-40-18-17-36)12-14-30(31)35(24-9-7-6-8-10-24)16-15-28-32(34(37)39-4)23(2)27-13-11-25(38-3)21-29(27)33(28)43-35/h6-16,21-22,36H,5,17-20H2,1-4H3
InChIKeyHBMWHNZAZBNDKW-UHFFFAOYSA-N
XLogP6.08
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.66
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate with MolForge

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Related Compounds

methyl 9-methoxy-6-methyl-2,2-bis[3-(trifluoromethyl)phenyl]benzo[h]chromene-5-carboxylate
CID 87780748
methyl 6-ethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 67813915
methyl 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-6-[2-(2-methylprop-2-enylperoxy)ethoxy]-2-phenylbenzo[h]chromene-5-carboxylate
CID 166731002
methyl 11-methyl-3,3-diphenylnaphtho[1,2-h]chromene-12-carboxylate
CID 22412475
2-[2-[[10,18-dimethoxy-5-(4-methoxyphenyl)-21-methyl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-21-yl]oxy]ethoxy]ethanol
CID 58596282
3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181950
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
methyl 6-acetyloxy-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 15332725
methyl 2-(4-methoxyphenyl)-9-methyl-5-morpholin-4-yl-2-phenylbenzo[h]chromene-6-carboxylate
CID 18316928
3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181948
methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
CID 15883927
methyl 6-(2-methylpropanoyloxy)-2,2-diphenylbenzo[h]chromene-5-carboxylate
CID 18916132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate (CID 156852937) is methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate is CCOc1cc(OCCOCCO)ccc1C1(c2ccccc2)C=Cc2c(C(=O)OC)c(C)c3ccc(OC)cc3c2O1.
What is the InChIKey of methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate?
The InChIKey is HBMWHNZAZBNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O8/c1-5-41-31-22-26(42-20-19-40-18-17-36)12-14-30(31)35(24-9-7-6-8-10-24)16-15-28-32(34(37)39-4)23(2)27-13-11-25(38-3)21-29(27)33(28)43-35/h6-16,21-22,36H,5,17-20H2,1-4H3.
What are the key properties of methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate?
methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate has a molecular weight of 584.66 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 156852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).