methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate

C30H26O6 — CID 70189268

IUPACmethyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C30H26O6/c1-32-21-12-8-19(9-13-21)30(20-10-14-22(33-2)15-11-20)17-16-24-26(29(31)35-4)18-25-23(28(24)36-30)6-5-7-27(25)34-3/h5-18H,1-4H3
InChIKeyZPOLEQZWBHSUJH-UHFFFAOYSA-N
MW482.53 g/mol
LogP6.00
Rot. Bonds6

About methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate

methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate (PubChem CID 70189268) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
PubChem CID70189268
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Namemethyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
InChIInChI=1S/C30H26O6/c1-32-21-12-8-19(9-13-21)30(20-10-14-22(33-2)15-11-20)17-16-24-26(29(31)35-4)18-25-23(28(24)36-30)6-5-7-27(25)34-3/h5-18H,1-4H3
InChIKeyZPOLEQZWBHSUJH-UHFFFAOYSA-N
XLogP6.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,2-bis(4-methoxyphenyl)-7-methylbenzo[h]chromene-5-carboxylate
CID 142000328
methyl 7,8-dimethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 69440282
methyl 2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thieno[2,3-h]chromene-5-carboxylate
CID 15883927
methyl 6-ethoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
CID 67813915
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
methyl 4-[5-(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]benzoate
CID 168851900
methyl 2-(4-methoxyphenyl)-6-(2-methylprop-2-enoyloxy)-2-phenylbenzo[h]chromene-5-carboxylate
CID 102424347
methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-phenyl-8-[(4-phenylphenyl)carbamoyl]benzo[h]chromene-5-carboxylate
CID 66995549
methyl 9-(dimethylamino)-2-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 21076405
5,5-bis(4-methoxyphenyl)-6,22-dioxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
CID 15451135
10,10-bis(4-methoxyphenyl)-4,11-dioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),8,13,15-hexaen-5-one
CID 15508915
2,2-bis(4-fluorophenyl)-9-methoxy-6-phenylbenzo[h]chromene-5-carboxylic acid
CID 156852926

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate (CID 70189268) is methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate is COC(=O)c1cc2c(OC)cccc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2.
What is the InChIKey of methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
The InChIKey is ZPOLEQZWBHSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-32-21-12-8-19(9-13-21)30(20-10-14-22(33-2)15-11-20)17-16-24-26(29(31)35-4)18-25-23(28(24)36-30)6-5-7-27(25)34-3/h5-18H,1-4H3.
What are the key properties of methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate?
methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate has a molecular weight of 482.53 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate is sourced from PubChem (CID 70189268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).