(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol

C17H15ClO3 — CID 104949177

IUPAC(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClO3/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17,19H,5-6,9H2/t14-,17?/m1/s1
InChIKeyXGWBEQJPFYICGK-XPCCGILXSA-N
MW302.76 g/mol
LogP3.83
Rot. Bonds1

About (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949177) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949177
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClO3/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17,19H,5-6,9H2/t14-,17?/m1/s1
InChIKeyXGWBEQJPFYICGK-XPCCGILXSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104949177) is (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2ccc3c(c2)CCO3)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XGWBEQJPFYICGK-XPCCGILXSA-N. The full InChI is InChI=1S/C17H15ClO3/c18-12-2-4-16-13(8-12)14(19)9-17(21-16)10-1-3-15-11(7-10)5-6-20-15/h1-4,7-8,14,17,19H,5-6,9H2/t14-,17?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 302.76 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).