methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate

C60H62O10 — CID 121483024

IUPACmethyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate
SMILESCCCCCC1CCC(C2CCC(C(=O)Oc3ccc(-c4ccccc4)c(C(=O)Oc4ccc5c6c(c(C(=O)OC)c(O)c5c4)C=CC(c4ccc(OC)cc4)(c4ccc(OC)cc4)O6)c3)CC2)CC1
InChIInChI=1S/C60H62O10/c1-5-6-8-11-38-14-16-39(17-15-38)40-18-20-42(21-19-40)57(62)68-48-30-32-49(41-12-9-7-10-13-41)53(37-48)58(63)69-47-31-33-50-52(36-47)55(61)54(59(64)67-4)51-34-35-60(70-56(50)51,43-22-26-45(65-2)27-23-43)44-24-28-46(66-3)29-25-44/h7,9-10,12-13,22-40,42,61H,5-6,8,11,14-21H2,1-4H3
InChIKeyWKLKSZAEBMRVTA-UHFFFAOYSA-N
MW943.15 g/mol
LogP13.68
Rot. Bonds15

About methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate

methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate (PubChem CID 121483024) has the molecular formula C60H62O10 and a molecular weight of 943.15 g/mol. Its IUPAC name is methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate
PubChem CID121483024
Molecular FormulaC60H62O10
Molecular Weight943.15 g/mol
Exact Mass942.43
IUPAC Namemethyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate
SMILESCCCCCC1CCC(C2CCC(C(=O)Oc3ccc(-c4ccccc4)c(C(=O)Oc4ccc5c6c(c(C(=O)OC)c(O)c5c4)C=CC(c4ccc(OC)cc4)(c4ccc(OC)cc4)O6)c3)CC2)CC1
InChIInChI=1S/C60H62O10/c1-5-6-8-11-38-14-16-39(17-15-38)40-18-20-42(21-19-40)57(62)68-48-30-32-49(41-12-9-7-10-13-41)53(37-48)58(63)69-47-31-33-50-52(36-47)55(61)54(59(64)67-4)51-34-35-60(70-56(50)51,43-22-26-45(65-2)27-23-43)44-24-28-46(66-3)29-25-44/h7,9-10,12-13,22-40,42,61H,5-6,8,11,14-21H2,1-4H3
InChIKeyWKLKSZAEBMRVTA-UHFFFAOYSA-N
XLogP13.68
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.15
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate (CID 121483024) is methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate is CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(-c4ccccc4)c(C(=O)Oc4ccc5c6c(c(C(=O)OC)c(O)c5c4)C=CC(c4ccc(OC)cc4)(c4ccc(OC)cc4)O6)c3)CC2)CC1.
What is the InChIKey of methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate?
The InChIKey is WKLKSZAEBMRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62O10/c1-5-6-8-11-38-14-16-39(17-15-38)40-18-20-42(21-19-40)57(62)68-48-30-32-49(41-12-9-7-10-13-41)53(37-48)58(63)69-47-31-33-50-52(36-47)55(61)54(59(64)67-4)51-34-35-60(70-56(50)51,43-22-26-45(65-2)27-23-43)44-24-28-46(66-3)29-25-44/h7,9-10,12-13,22-40,42,61H,5-6,8,11,14-21H2,1-4H3.
What are the key properties of methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate?
methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate has a molecular weight of 943.15 g/mol, XLogP of 13.68, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2,2-bis(4-methoxyphenyl)-8-[5-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxy-2-phenylbenzoyl]oxybenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 121483024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).