(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene

C13H13ClO2 — CID 134896286

IUPAC(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESClC1=C[C@@H]2C[C@@H](OCc3ccccc3)[C@H]1O2
InChIInChI=1S/C13H13ClO2/c14-11-6-10-7-12(13(11)16-10)15-8-9-4-2-1-3-5-9/h1-6,10,12-13H,7-8H2/t10-,12-,13+/m1/s1
InChIKeyDIXYEBVUIVTFTC-RTXFEEFZSA-N
MW236.70 g/mol
LogP2.87
Rot. Bonds3

About (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene

(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 134896286) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID134896286
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESClC1=C[C@@H]2C[C@@H](OCc3ccccc3)[C@H]1O2
InChIInChI=1S/C13H13ClO2/c14-11-6-10-7-12(13(11)16-10)15-8-9-4-2-1-3-5-9/h1-6,10,12-13H,7-8H2/t10-,12-,13+/m1/s1
InChIKeyDIXYEBVUIVTFTC-RTXFEEFZSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(1R,6R,7S)-7-phenylmethoxy-3-phenylsulfanyl-9-oxabicyclo[4.2.1]non-2-ene
CID 11046030
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(3R,4R)-3-iodo-4-phenylmethoxyoxolane
CID 165354577
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene (CID 134896286) is (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene is ClC1=C[C@@H]2C[C@@H](OCc3ccccc3)[C@H]1O2.
What is the InChIKey of (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is DIXYEBVUIVTFTC-RTXFEEFZSA-N. The full InChI is InChI=1S/C13H13ClO2/c14-11-6-10-7-12(13(11)16-10)15-8-9-4-2-1-3-5-9/h1-6,10,12-13H,7-8H2/t10-,12-,13+/m1/s1.
What are the key properties of (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
(1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 236.70 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R)-2-chloro-6-phenylmethoxy-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 134896286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).