(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol

C16H14Cl2O2 — CID 45271481

IUPAC(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1c2cc(Cl)ccc2OC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11,16,19H,7,9H2/t11-,16-/m1/s1
InChIKeySUYALUDQBGCXES-BDJLRTHQSA-N
MW309.19 g/mol
LogP4.28
Rot. Bonds2

About (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol

(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 45271481) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID45271481
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1c2cc(Cl)ccc2OC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11,16,19H,7,9H2/t11-,16-/m1/s1
InChIKeySUYALUDQBGCXES-BDJLRTHQSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol (CID 45271481) is (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol is O[C@H]1c2cc(Cl)ccc2OC[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SUYALUDQBGCXES-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11,16,19H,7,9H2/t11-,16-/m1/s1.
What are the key properties of (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol?
(3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 309.19 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 45271481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).