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

C59H48O6 — CID 129291813

IUPAC2-[[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
SMILESCC(C)(c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1)c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1
InChIInChI=1S/C59H48O6/c1-59(2,47-31-43(27-39-23-19-35-11-3-7-15-49(35)55(39)62)53(60)44(32-47)28-40-24-20-36-12-4-8-16-50(36)56(40)63)48-33-45(29-41-25-21-37-13-5-9-17-51(37)57(41)64)54(61)46(34-48)30-42-26-22-38-14-6-10-18-52(38)58(42)65/h3-26,31-34,60-65H,27-30H2,1-2H3
InChIKeyYGNREUNGZRMFSX-UHFFFAOYSA-N
MW853.03 g/mol
LogP13.22
Rot. Bonds10

About 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

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 (PubChem CID 129291813) has the molecular formula C59H48O6 and a molecular weight of 853.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID129291813
Molecular FormulaC59H48O6
Molecular Weight853.03 g/mol
Exact Mass852.35
IUPAC Name2-[[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
SMILESCC(C)(c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1)c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1
InChIInChI=1S/C59H48O6/c1-59(2,47-31-43(27-39-23-19-35-11-3-7-15-49(35)55(39)62)53(60)44(32-47)28-40-24-20-36-12-4-8-16-50(36)56(40)63)48-33-45(29-41-25-21-37-13-5-9-17-51(37)57(41)64)54(61)46(34-48)30-42-26-22-38-14-6-10-18-52(38)58(42)65/h3-26,31-34,60-65H,27-30H2,1-2H3
InChIKeyYGNREUNGZRMFSX-UHFFFAOYSA-N
XLogP13.22
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.03
LogP ≤ 513.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 71342974
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
2-[(4-bromophenyl)methyl]naphthalen-1-ol
CID 15617869
tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
CID 102111211
2-[(1,6-dihydroxynaphthalen-2-yl)methyl]naphthalene-1,6-diol
CID 67893897
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
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
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1)c1cc(Cc2ccc3ccccc3c2O)c(O)c(Cc2ccc3ccccc3c2O)c1.
What is the InChIKey of 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?
The InChIKey is YGNREUNGZRMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48O6/c1-59(2,47-31-43(27-39-23-19-35-11-3-7-15-49(35)55(39)62)53(60)44(32-47)28-40-24-20-36-12-4-8-16-50(36)56(40)63)48-33-45(29-41-25-21-37-13-5-9-17-51(37)57(41)64)54(61)46(34-48)30-42-26-22-38-14-6-10-18-52(38)58(42)65/h3-26,31-34,60-65H,27-30H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 853.03 g/mol, XLogP of 13.22, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).