4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol

C57H58O15 — CID 159536385

IUPAC4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(c1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(Cc2c3ccccc3c(-c3cc(CO)c(O)c(CO)c3)c3ccccc23)cc(CO)c1O
InChIInChI=1S/C31H28O6.C26H30O9/c32-14-20-9-18(10-21(15-33)30(20)36)11-28-24-5-1-3-7-26(24)29(27-8-4-2-6-25(27)28)19-12-22(16-34)31(37)23(13-19)17-35;1-26(20-2-14(8-27)23(33)15(3-20)9-28,21-4-16(10-29)24(34)17(5-21)11-30)22-6-18(12-31)25(35)19(7-22)13-32/h1-10,12-13,32-37H,11,14-17H2;2-7,27-35H,8-13H2,1H3
InChIKeyMDQJYQCMSFCUIL-UHFFFAOYSA-N
MW983.08 g/mol
LogP5.74
Rot. Bonds16

About 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol

4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 159536385) has the molecular formula C57H58O15 and a molecular weight of 983.08 g/mol. Its IUPAC name is 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID159536385
Molecular FormulaC57H58O15
Molecular Weight983.08 g/mol
Exact Mass982.38
IUPAC Name4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
SMILESCC(c1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(Cc2c3ccccc3c(-c3cc(CO)c(O)c(CO)c3)c3ccccc23)cc(CO)c1O
InChIInChI=1S/C31H28O6.C26H30O9/c32-14-20-9-18(10-21(15-33)30(20)36)11-28-24-5-1-3-7-26(24)29(27-8-4-2-6-25(27)28)19-12-22(16-34)31(37)23(13-19)17-35;1-26(20-2-14(8-27)23(33)15(3-20)9-28,21-4-16(10-29)24(34)17(5-21)11-30)22-6-18(12-31)25(35)19(7-22)13-32/h1-10,12-13,32-37H,11,14-17H2;2-7,27-35H,8-13H2,1H3
InChIKeyMDQJYQCMSFCUIL-UHFFFAOYSA-N
XLogP5.74
TPSA303.45 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500983.08
LogP ≤ 55.74
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol with MolForge

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Related Compounds

4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
CID 167657189
4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
CID 145345584
4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
CID 143901395
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
CID 71422766
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
CID 151136569
4-[3,5-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]phenyl]-2,6-bis(hydroxymethyl)phenol
CID 22095439
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-(4-naphthalen-1-ylphenyl)ethyl]phenol
CID 176584593
2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol
CID 18671164
2-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(1-hydroxynaphthalen-2-yl)methyl]phenyl]propan-2-yl]-3-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 129291813
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 23539942

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol (CID 159536385) is 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol is CC(c1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.OCc1cc(Cc2c3ccccc3c(-c3cc(CO)c(O)c(CO)c3)c3ccccc23)cc(CO)c1O.
What is the InChIKey of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is MDQJYQCMSFCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O6.C26H30O9/c32-14-20-9-18(10-21(15-33)30(20)36)11-28-24-5-1-3-7-26(24)29(27-8-4-2-6-25(27)28)19-12-22(16-34)31(37)23(13-19)17-35;1-26(20-2-14(8-27)23(33)15(3-20)9-28,21-4-16(10-29)24(34)17(5-21)11-30)22-6-18(12-31)25(35)19(7-22)13-32/h1-10,12-13,32-37H,11,14-17H2;2-7,27-35H,8-13H2,1H3.
What are the key properties of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?
4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 983.08 g/mol, XLogP of 5.74, 16 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 159536385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).