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

C19H21ClO2 — CID 118457980

IUPAC(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
SMILESCCc1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C19H21ClO2/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/h3-8,11,18H,2,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyGVZZLIPFZNLING-SFHVURJKSA-N
MW316.83 g/mol
LogP4.66
Rot. Bonds5

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

(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane (PubChem CID 118457980) has the molecular formula C19H21ClO2 and a molecular weight of 316.83 g/mol. Its IUPAC name is (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane.

Molecular Properties

Compound Name(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
PubChem CID118457980
Molecular FormulaC19H21ClO2
Molecular Weight316.83 g/mol
Exact Mass316.12
IUPAC Name(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane
SMILESCCc1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C19H21ClO2/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/h3-8,11,18H,2,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyGVZZLIPFZNLING-SFHVURJKSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane;ethane
CID 176995671
(3S)-3-[4-[(5-tert-butyl-2-chlorophenyl)methyl]phenoxy]oxolane
CID 90128332
(3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
CID 141288000
3-[4-[(2-chloro-5-ethenylphenyl)methyl]phenoxy]oxolane
CID 175298744
(3R)-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-methyloxane-3,4-diol
CID 126639439
(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
2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-4-methyloxane-3,5-diol
CID 123979921
(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
(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
2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,5-diol
CID 118457957
(2S,3R,5S,6R)-2-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71085532
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane?
The IUPAC name of (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane (CID 118457980) is (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane.
What is the SMILES notation for (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane?
The canonical SMILES for (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane is CCc1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1.
What is the InChIKey of (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane?
The InChIKey is GVZZLIPFZNLING-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClO2/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/h3-8,11,18H,2,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane?
(3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane has a molecular weight of 316.83 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(2-chloro-5-ethylphenyl)methyl]phenoxy]oxolane is sourced from PubChem (CID 118457980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).