(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol

C19H13ClO2 — CID 100804335

IUPAC(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol
SMILESO[C@H](c1cccc(Cl)c1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H13ClO2/c20-14-5-3-4-12(10-14)19(21)13-8-9-16-15-6-1-2-7-17(15)22-18(16)11-13/h1-11,19,21H/t19-/m1/s1
InChIKeyHIMBLPZPQRWFAO-LJQANCHMSA-N
MW308.76 g/mol
LogP5.32
Rot. Bonds2

About (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol

(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol (PubChem CID 100804335) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol.

Molecular Properties

Compound Name(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol
PubChem CID100804335
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol
SMILESO[C@H](c1cccc(Cl)c1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H13ClO2/c20-14-5-3-4-12(10-14)19(21)13-8-9-16-15-6-1-2-7-17(15)22-18(16)11-13/h1-11,19,21H/t19-/m1/s1
InChIKeyHIMBLPZPQRWFAO-LJQANCHMSA-N
XLogP5.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol?
The IUPAC name of (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol (CID 100804335) is (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol.
What is the SMILES notation for (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol?
The canonical SMILES for (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol is O[C@H](c1cccc(Cl)c1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol?
The InChIKey is HIMBLPZPQRWFAO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-14-5-3-4-12(10-14)19(21)13-8-9-16-15-6-1-2-7-17(15)22-18(16)11-13/h1-11,19,21H/t19-/m1/s1.
What are the key properties of (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol?
(S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol has a molecular weight of 308.76 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chlorophenyl)-dibenzofuran-3-ylmethanol is sourced from PubChem (CID 100804335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).