7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol

C48H38O8 — CID 129303107

About 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol

7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol (PubChem CID 129303107) has the molecular formula C48H38O8 and a molecular weight of 742.82 g/mol. Its IUPAC name is 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol.

Molecular Properties

• Compound Name: 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
• PubChem CID: 129303107
• Molecular Formula: C48H38O8
• Molecular Weight: 742.82 g/mol
• Exact Mass: 742.26
• IUPAC Name: 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
• SMILES: Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(Cc4ccc(O)cc4-c4cc(O)c(Cc5ccc(O)cc5)c5ccc(O)cc45)c(O)c3c2O)cc1
• InChI: InChI=1S/C48H38O8/c49-34-9-1-27(2-10-34)19-32-23-33(20-28-3-11-35(50)12-4-28)48(56)46-39(32)17-8-31(47(46)55)22-30-7-15-37(52)24-41(30)43-26-45(54)44(21-29-5-13-36(51)14-6-29)40-18-16-38(53)25-42(40)43/h1-18,23-26,49-56H,19-22H2
• InChIKey: AJAMXSCXKLKYIZ-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	742.82
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?

The IUPAC name of 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol (CID 129303107) is 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol.

What is the SMILES notation for 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?

The canonical SMILES for 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol is Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c3ccc(Cc4ccc(O)cc4-c4cc(O)c(Cc5ccc(O)cc5)c5ccc(O)cc45)c(O)c3c2O)cc1.

What is the InChIKey of 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?

The InChIKey is AJAMXSCXKLKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38O8/c49-34-9-1-27(2-10-34)19-32-23-33(20-28-3-11-35(50)12-4-28)48(56)46-39(32)17-8-31(47(46)55)22-30-7-15-37(52)24-41(30)43-26-45(54)44(21-29-5-13-36(51)14-6-29)40-18-16-38(53)25-42(40)43/h1-18,23-26,49-56H,19-22H2.

What are the key properties of 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?

7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol has a molecular weight of 742.82 g/mol, XLogP of 9.67, 9 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-[3,7-dihydroxy-4-[(4-hydroxyphenyl)methyl]naphthalen-1-yl]-4-hydroxyphenyl]methyl]-2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol is sourced from PubChem (CID 129303107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).