3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane

C19H19ClO2 — CID 175298744

IUPAC3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane
SMILESC=Cc1ccc(Cl)c(Cc2ccc(OC3CCOC3)cc2)c1
InChIInChI=1S/C19H19ClO2/c1-2-14-5-8-19(20)16(11-14)12-15-3-6-17(7-4-15)22-18-9-10-21-13-18/h2-8,11,18H,1,9-10,12-13H2
InChIKeyOABNZHMXVXPSLL-UHFFFAOYSA-N
MW314.81 g/mol
LogP4.74
Rot. Bonds5

About 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane

3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane (PubChem CID 175298744) has the molecular formula C19H19ClO2 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane.

Molecular Properties

Compound Name3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane
PubChem CID175298744
Molecular FormulaC19H19ClO2
Molecular Weight314.81 g/mol
Exact Mass314.11
IUPAC Name3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane
SMILESC=Cc1ccc(Cl)c(Cc2ccc(OC3CCOC3)cc2)c1
InChIInChI=1S/C19H19ClO2/c1-2-14-5-8-19(20)16(11-14)12-15-3-6-17(7-4-15)22-18-9-10-21-13-18/h2-8,11,18H,1,9-10,12-13H2
InChIKeyOABNZHMXVXPSLL-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
CID 118457980
3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane;ethane
CID 176995671
(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
CID 141288000
(3S)-3-[4-[(5-tert-butyl-2-chlorophenyl)methyl]phenoxy]oxolane
CID 90128332
(1R,2S,3S,4R)-5-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 163202753
(2S,3R,4S,5R,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-ethyl-5-methyl-3,4-bis(prop-2-enoxy)oxane
CID 118501616
(3R)-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-methyloxane-3,4-diol
CID 126639439
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol
CID 58452231
(2S,3R,5S,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71085532
2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 118457957
(2R,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91827936
(2S,3R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-4,6-bis(hydroxymethyl)oxan-3-ol
CID 163761528

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane?
The IUPAC name of 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane (CID 175298744) is 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane.
What is the SMILES notation for 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane?
The canonical SMILES for 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane is C=Cc1ccc(Cl)c(Cc2ccc(OC3CCOC3)cc2)c1.
What is the InChIKey of 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane?
The InChIKey is OABNZHMXVXPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO2/c1-2-14-5-8-19(20)16(11-14)12-15-3-6-17(7-4-15)22-18-9-10-21-13-18/h2-8,11,18H,1,9-10,12-13H2.
What are the key properties of 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane?
3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane has a molecular weight of 314.81 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane is sourced from PubChem (CID 175298744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).