(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane

C14H17ClO2 — CID 97044046

IUPAC(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
SMILESC=C(Cl)Cc1cccc(O[C@@H]2CCCCO2)c1
InChIInChI=1S/C14H17ClO2/c1-11(15)9-12-5-4-6-13(10-12)17-14-7-2-3-8-16-14/h4-6,10,14H,1-3,7-9H2/t14-/m1/s1
InChIKeySDUTVBYMKAVKOU-CQSZACIVSA-N
MW252.74 g/mol
LogP3.89
Rot. Bonds4

About (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane

(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane (PubChem CID 97044046) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
PubChem CID97044046
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
SMILESC=C(Cl)Cc1cccc(O[C@@H]2CCCCO2)c1
InChIInChI=1S/C14H17ClO2/c1-11(15)9-12-5-4-6-13(10-12)17-14-7-2-3-8-16-14/h4-6,10,14H,1-3,7-9H2/t14-/m1/s1
InChIKeySDUTVBYMKAVKOU-CQSZACIVSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)oxane
CID 5067264
2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
CID 155385050
[3-chloro-5-(oxan-2-yloxy)phenyl]methanol
CID 15631342
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
CID 56986167
[5-(oxan-2-yloxy)-3-pyridinyl]methanol
CID 168916657
4-(oxan-2-yloxy)phenol
CID 11745519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane?
The IUPAC name of (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane (CID 97044046) is (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane.
What is the SMILES notation for (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane?
The canonical SMILES for (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane is C=C(Cl)Cc1cccc(O[C@@H]2CCCCO2)c1.
What is the InChIKey of (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane?
The InChIKey is SDUTVBYMKAVKOU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-11(15)9-12-5-4-6-13(10-12)17-14-7-2-3-8-16-14/h4-6,10,14H,1-3,7-9H2/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane?
(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane has a molecular weight of 252.74 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane is sourced from PubChem (CID 97044046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).