[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol

C73H58O8 — CID 90716591

IUPAC[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1(c2ccc3cc(OCc4ccccc4)ccc3c2)OC(c2ccc3cc(OCc4ccccc4)ccc3c2)(c2ccc3cc(OCc4ccccc4)ccc3c2)OC1(CO)c1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C73H58O8/c74-49-71(63-29-21-59-41-67(33-25-55(59)37-63)76-45-51-13-5-1-6-14-51)72(50-75,64-30-22-60-42-68(34-26-56(60)38-64)77-46-52-15-7-2-8-16-52)81-73(80-71,65-31-23-61-43-69(35-27-57(61)39-65)78-47-53-17-9-3-10-18-53)66-32-24-62-44-70(36-28-58(62)40-66)79-48-54-19-11-4-12-20-54/h1-44,74-75H,45-50H2
InChIKeyFRCFVJCOJYPETN-UHFFFAOYSA-N
MW1063.26 g/mol
LogP15.64
Rot. Bonds18

About [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol

[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 90716591) has the molecular formula C73H58O8 and a molecular weight of 1063.26 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID90716591
Molecular FormulaC73H58O8
Molecular Weight1063.26 g/mol
Exact Mass1062.41
IUPAC Name[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1(c2ccc3cc(OCc4ccccc4)ccc3c2)OC(c2ccc3cc(OCc4ccccc4)ccc3c2)(c2ccc3cc(OCc4ccccc4)ccc3c2)OC1(CO)c1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C73H58O8/c74-49-71(63-29-21-59-41-67(33-25-55(59)37-63)76-45-51-13-5-1-6-14-51)72(50-75,64-30-22-60-42-68(34-26-56(60)38-64)77-46-52-15-7-2-8-16-52)81-73(80-71,65-31-23-61-43-69(35-27-57(61)39-65)78-47-53-17-9-3-10-18-53)66-32-24-62-44-70(36-28-58(62)40-66)79-48-54-19-11-4-12-20-54/h1-44,74-75H,45-50H2
InChIKeyFRCFVJCOJYPETN-UHFFFAOYSA-N
XLogP15.64
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.26
LogP ≤ 515.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-phenyl-5-phenylmethoxyphenol
CID 123808909
6-phenylmethoxychromen-2-one
CID 59816113
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine
CID 86624015

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol (CID 90716591) is [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol is OCC1(c2ccc3cc(OCc4ccccc4)ccc3c2)OC(c2ccc3cc(OCc4ccccc4)ccc3c2)(c2ccc3cc(OCc4ccccc4)ccc3c2)OC1(CO)c1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is FRCFVJCOJYPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58O8/c74-49-71(63-29-21-59-41-67(33-25-55(59)37-63)76-45-51-13-5-1-6-14-51)72(50-75,64-30-22-60-42-68(34-26-56(60)38-64)77-46-52-15-7-2-8-16-52)81-73(80-71,65-31-23-61-43-69(35-27-57(61)39-65)78-47-53-17-9-3-10-18-53)66-32-24-62-44-70(36-28-58(62)40-66)79-48-54-19-11-4-12-20-54/h1-44,74-75H,45-50H2.
What are the key properties of [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol?
[5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 1063.26 g/mol, XLogP of 15.64, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,2,4,5-tetrakis(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 90716591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).