(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane

C23H20Cl2O — CID 42603793

IUPAC(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane
SMILESClc1ccccc1[C@@H]1CC(c2ccccc2)C[C@H](c2ccccc2Cl)O1
InChIInChI=1S/C23H20Cl2O/c24-20-12-6-4-10-18(20)22-14-17(16-8-2-1-3-9-16)15-23(26-22)19-11-5-7-13-21(19)25/h1-13,17,22-23H,14-15H2/t17?,22-,23+
InChIKeyNSIKZUJJXKWBFB-FKWVHYFSSA-N
MW383.32 g/mol
LogP7.37
Rot. Bonds3

About (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane

(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane (PubChem CID 42603793) has the molecular formula C23H20Cl2O and a molecular weight of 383.32 g/mol. Its IUPAC name is (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane.

Molecular Properties

Compound Name(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane
PubChem CID42603793
Molecular FormulaC23H20Cl2O
Molecular Weight383.32 g/mol
Exact Mass382.09
IUPAC Name(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane
SMILESClc1ccccc1[C@@H]1CC(c2ccccc2)C[C@H](c2ccccc2Cl)O1
InChIInChI=1S/C23H20Cl2O/c24-20-12-6-4-10-18(20)22-14-17(16-8-2-1-3-9-16)15-23(26-22)19-11-5-7-13-21(19)25/h1-13,17,22-23H,14-15H2/t17?,22-,23+
InChIKeyNSIKZUJJXKWBFB-FKWVHYFSSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
CID 135040364
(4R,5R)-4-(2-chlorophenyl)-5-methyl-2-phenyl-1,3-dioxolane
CID 118140933
1-(3-tert-butylcyclobutyl)-2-chlorobenzene
CID 135182977
(2R)-2-(2-chlorophenyl)-2,3-dihydrofuran
CID 139822422
methyl 4-[(2R,6S)-6-(4-methoxycarbonylphenyl)-4-phenyloxan-2-yl]benzoate
CID 42604041
[(2S,4S,5S)-5-(2-chlorophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 140688315
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
2-(2-chlorophenyl)oxane-4-carbonitrile
CID 175699974
1-[2-(bromomethyl)cyclopropyl]-2-chlorobenzene
CID 81351751
(2S,6R)-4-chloro-2,6-bis(2-methylphenyl)oxane
CID 11033937
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane?
The IUPAC name of (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane (CID 42603793) is (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane.
What is the SMILES notation for (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane?
The canonical SMILES for (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane is Clc1ccccc1[C@@H]1CC(c2ccccc2)C[C@H](c2ccccc2Cl)O1.
What is the InChIKey of (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane?
The InChIKey is NSIKZUJJXKWBFB-FKWVHYFSSA-N. The full InChI is InChI=1S/C23H20Cl2O/c24-20-12-6-4-10-18(20)22-14-17(16-8-2-1-3-9-16)15-23(26-22)19-11-5-7-13-21(19)25/h1-13,17,22-23H,14-15H2/t17?,22-,23+.
What are the key properties of (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane?
(2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane has a molecular weight of 383.32 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-bis(2-chlorophenyl)-4-phenyloxane is sourced from PubChem (CID 42603793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).