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

C33H32O4 — CID 140981334

IUPAC[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(C1=C(C(O)(c2ccccc2C)c2ccccc2C)OCO1)c1ccccc1C
InChIInChI=1S/C33H32O4/c1-22-13-5-9-17-26(22)32(34,27-18-10-6-14-23(27)2)30-31(37-21-36-30)33(35,28-19-11-7-15-24(28)3)29-20-12-8-16-25(29)4/h5-20,34-35H,21H2,1-4H3
InChIKeyBHIJRTNIQMQCNU-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.31
Rot. Bonds6

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

[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol (PubChem CID 140981334) has the molecular formula C33H32O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol.

Molecular Properties

Compound Name[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol
PubChem CID140981334
Molecular FormulaC33H32O4
Molecular Weight492.62 g/mol
Exact Mass492.23
IUPAC Name[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)(C1=C(C(O)(c2ccccc2C)c2ccccc2C)OCO1)c1ccccc1C
InChIInChI=1S/C33H32O4/c1-22-13-5-9-17-26(22)32(34,27-18-10-6-14-23(27)2)30-31(37-21-36-30)33(35,28-19-11-7-15-24(28)3)29-20-12-8-16-25(29)4/h5-20,34-35H,21H2,1-4H3
InChIKeyBHIJRTNIQMQCNU-UHFFFAOYSA-N
XLogP6.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,3-dimethylphenyl)-(2-sulfanylphenyl)methanol
CID 11631636
[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
CID 11484515
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
3-(2-methylphenyl)penta-1,4-diyn-3-ol
CID 121007327
1-(2,3-dimethylbutan-2-yl)-2-methylbenzene
CID 14195588
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
acetylene;1,2-xylene
CID 175515922
(4-chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
1,2-xylene
CID 173422016
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
5-methoxy-5-methyl-2-(2-methylphenyl)hexan-2-ol
CID 103035054

Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol?
The IUPAC name of [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol (CID 140981334) is [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol.
What is the SMILES notation for [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol?
The canonical SMILES for [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol is Cc1ccccc1C(O)(C1=C(C(O)(c2ccccc2C)c2ccccc2C)OCO1)c1ccccc1C.
What is the InChIKey of [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol?
The InChIKey is BHIJRTNIQMQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O4/c1-22-13-5-9-17-26(22)32(34,27-18-10-6-14-23(27)2)30-31(37-21-36-30)33(35,28-19-11-7-15-24(28)3)29-20-12-8-16-25(29)4/h5-20,34-35H,21H2,1-4H3.
What are the key properties of [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol?
[5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol has a molecular weight of 492.62 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy-bis(2-methylphenyl)methyl]-1,3-dioxol-4-yl]-bis(2-methylphenyl)methanol is sourced from PubChem (CID 140981334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).