(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol

C17H11BrO3 — CID 106855312

IUPAC(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol
SMILESOC(c1ccc2oc3ccccc3c2c1)c1ccoc1Br
InChIInChI=1S/C17H11BrO3/c18-17-12(7-8-20-17)16(19)10-5-6-15-13(9-10)11-3-1-2-4-14(11)21-15/h1-9,16,19H
InChIKeyDITSLAZWQMNLMG-UHFFFAOYSA-N
MW343.18 g/mol
LogP5.02
Rot. Bonds2

About (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol

(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol (PubChem CID 106855312) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol
PubChem CID106855312
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol
SMILESOC(c1ccc2oc3ccccc3c2c1)c1ccoc1Br
InChIInChI=1S/C17H11BrO3/c18-17-12(7-8-20-17)16(19)10-5-6-15-13(9-10)11-3-1-2-4-14(11)21-15/h1-9,16,19H
InChIKeyDITSLAZWQMNLMG-UHFFFAOYSA-N
XLogP5.02
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.18
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347
(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
CID 106855403
4-amino-1-dibenzofuran-2-ylbutane-1,2-diol
CID 171882248
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
(R)-dibenzofuran-3-yl-(2,4-dichlorophenyl)methanol
CID 100804352
1-dibenzofuran-2-ylhexan-1-ol
CID 63426377
2-dibenzofuran-2-yl-N-methylpropanamide
CID 163614988
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol?
The IUPAC name of (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol (CID 106855312) is (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol.
What is the SMILES notation for (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol?
The canonical SMILES for (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol is OC(c1ccc2oc3ccccc3c2c1)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol?
The InChIKey is DITSLAZWQMNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-17-12(7-8-20-17)16(19)10-5-6-15-13(9-10)11-3-1-2-4-14(11)21-15/h1-9,16,19H.
What are the key properties of (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol?
(2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol has a molecular weight of 343.18 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-dibenzofuran-2-ylmethanol is sourced from PubChem (CID 106855312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).