4-amino-1-dibenzofuran-2-ylbutane-1,2-diol

C16H17NO3 — CID 171882248

IUPAC4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H17NO3/c17-8-7-13(18)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-6,9,13,16,18-19H,7-8,17H2
InChIKeyKSKJIMZKZRMFFT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds4

About 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol

4-amino-1-dibenzofuran-2-ylbutane-1,2-diol (PubChem CID 171882248) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
PubChem CID171882248
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H17NO3/c17-8-7-13(18)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-6,9,13,16,18-19H,7-8,17H2
InChIKeyKSKJIMZKZRMFFT-UHFFFAOYSA-N
XLogP2.33
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-dibenzofuran-2-ylhexan-1-ol
CID 63426377
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955
1-dibenzofuran-2-yl-3-methylbutan-1-amine
CID 43100935
(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol
CID 106855312
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
dibenzofuran-2-amine
CID 19405

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol?
The IUPAC name of 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol (CID 171882248) is 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol.
What is the SMILES notation for 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol?
The canonical SMILES for 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol is NCCC(O)C(O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol?
The InChIKey is KSKJIMZKZRMFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c17-8-7-13(18)16(19)10-5-6-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-6,9,13,16,18-19H,7-8,17H2.
What are the key properties of 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol?
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol has a molecular weight of 271.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-dibenzofuran-2-ylbutane-1,2-diol is sourced from PubChem (CID 171882248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).