1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C25H23NO4 — CID 9191054

IUPAC1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(OCc3ccccc3)cc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C25H23NO4/c27-24-25(29-15-6-16-30-25)22-9-4-5-10-23(22)26(24)17-19-11-13-21(14-12-19)28-18-20-7-2-1-3-8-20/h1-5,7-14H,6,15-18H2
InChIKeyHHWQDXAPMFVNGT-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.40
Rot. Bonds5

About 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9191054) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9191054
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(OCc3ccccc3)cc2)c2ccccc2C12OCCCO2
InChIInChI=1S/C25H23NO4/c27-24-25(29-15-6-16-30-25)22-9-4-5-10-23(22)26(24)17-19-11-13-21(14-12-19)28-18-20-7-2-1-3-8-20/h1-5,7-14H,6,15-18H2
InChIKeyHHWQDXAPMFVNGT-UHFFFAOYSA-N
XLogP4.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884261
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
1'-[[4-(3-methylbutoxy)phenyl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884260
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322
1'-[3-(4-tert-butylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884280
1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
N-(4-ethoxyphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115291
1'-[(4-butoxy-3-methoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177780
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
1'-(3-naphthalen-1-yloxypropyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884281

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9191054) is 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(Cc2ccc(OCc3ccccc3)cc2)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is HHWQDXAPMFVNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c27-24-25(29-15-6-16-30-25)22-9-4-5-10-23(22)26(24)17-19-11-13-21(14-12-19)28-18-20-7-2-1-3-8-20/h1-5,7-14H,6,15-18H2.
What are the key properties of 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 401.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-phenylmethoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9191054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).