3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol

C24H27NO3 — CID 10883366

IUPAC3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol
SMILESCCCCN(CCCC)c1ccc2c(c1)oc1c(O)c3ccccc3c(O)c12
InChIInChI=1S/C24H27NO3/c1-3-5-13-25(14-6-4-2)16-11-12-19-20(15-16)28-24-21(19)22(26)17-9-7-8-10-18(17)23(24)27/h7-12,15,26-27H,3-6,13-14H2,1-2H3
InChIKeyKMFZDUJTDXWTPV-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.56
Rot. Bonds7

About 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol

3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol (PubChem CID 10883366) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol.

Molecular Properties

Compound Name3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol
PubChem CID10883366
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol
SMILESCCCCN(CCCC)c1ccc2c(c1)oc1c(O)c3ccccc3c(O)c12
InChIInChI=1S/C24H27NO3/c1-3-5-13-25(14-6-4-2)16-11-12-19-20(15-16)28-24-21(19)22(26)17-9-7-8-10-18(17)23(24)27/h7-12,15,26-27H,3-6,13-14H2,1-2H3
InChIKeyKMFZDUJTDXWTPV-UHFFFAOYSA-N
XLogP6.56
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
tert-butyl 4-[17-(dibutylamino)-3,20-dioxa-5-azapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7,9,11,14(19),15,17-nonaen-4-yl]benzoate
CID 102409140
9-[hexyl(nonyl)amino]naphtho[2,1-b][1]benzofuran-5,6-dione
CID 142932648
6-butyl-3-(dibutylamino)-6-hydroxynaphtho[3,2-b][1]benzofuran-11-one
CID 100937796
4-(dibutylamino)-2,6-diphenylphenol
CID 22095865
[10-(dioctylamino)-6-oxochromeno[4,3-b]chromen-3-ylidene]-dimethylazanium
CID 123138139
ethyl 4-[13-(4-cyanophenyl)-6-(dibutylamino)-9,12-dioxa-14,17-diazahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3(8),4,6,10,13,15,18,20,22-decaen-17-yl]butanoate
CID 16725857
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
N,N-dibutyl-4-[21-[4-(dibutylamino)phenyl]-2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-10-yl]aniline
CID 102323271
6-(dibutylamino)naphthalene-1-carboxylic acid
CID 69135598
2-(1,3-benzoxazol-2-yl)-5-(dihexylamino)phenol
CID 142724824
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol?
The IUPAC name of 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol (CID 10883366) is 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol.
What is the SMILES notation for 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol?
The canonical SMILES for 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol is CCCCN(CCCC)c1ccc2c(c1)oc1c(O)c3ccccc3c(O)c12.
What is the InChIKey of 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol?
The InChIKey is KMFZDUJTDXWTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-5-13-25(14-6-4-2)16-11-12-19-20(15-16)28-24-21(19)22(26)17-9-7-8-10-18(17)23(24)27/h7-12,15,26-27H,3-6,13-14H2,1-2H3.
What are the key properties of 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol?
3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol has a molecular weight of 377.48 g/mol, XLogP of 6.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)naphtho[3,2-b][1]benzofuran-6,11-diol is sourced from PubChem (CID 10883366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).