[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol

C35H38O4 — CID 14006260

IUPAC[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@H]2C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C35H38O4/c1-23-7-15-27(16-8-23)34(36,28-17-9-24(2)10-18-28)31-32(39-33(5,6)38-31)35(37,29-19-11-25(3)12-20-29)30-21-13-26(4)14-22-30/h7-22,31-32,36-37H,1-6H3/t31-,32-/m1/s1
InChIKeyNNMUIYAHXWFCMG-ROJLCIKYSA-N
MW522.69 g/mol
LogP6.61
Rot. Bonds6

About [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol

[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol (PubChem CID 14006260) has the molecular formula C35H38O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol
PubChem CID14006260
Molecular FormulaC35H38O4
Molecular Weight522.69 g/mol
Exact Mass522.28
IUPAC Name[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@H]2C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C35H38O4/c1-23-7-15-27(16-8-23)34(36,28-17-9-24(2)10-18-28)31-32(39-33(5,6)38-31)35(37,29-19-11-25(3)12-20-29)30-21-13-26(4)14-22-30/h7-22,31-32,36-37H,1-6H3/t31-,32-/m1/s1
InChIKeyNNMUIYAHXWFCMG-ROJLCIKYSA-N
XLogP6.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol?
The IUPAC name of [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol (CID 14006260) is [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol.
What is the SMILES notation for [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol?
The canonical SMILES for [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol is Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H]2OC(C)(C)O[C@H]2C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol?
The InChIKey is NNMUIYAHXWFCMG-ROJLCIKYSA-N. The full InChI is InChI=1S/C35H38O4/c1-23-7-15-27(16-8-23)34(36,28-17-9-24(2)10-18-28)31-32(39-33(5,6)38-31)35(37,29-19-11-25(3)12-20-29)30-21-13-26(4)14-22-30/h7-22,31-32,36-37H,1-6H3/t31-,32-/m1/s1.
What are the key properties of [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol?
[(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol has a molecular weight of 522.69 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[hydroxy-bis(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(4-methylphenyl)methanol is sourced from PubChem (CID 14006260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).