propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate

C19H22O3 — CID 7672618

IUPACpropan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
SMILESCC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC(C)C
InChIInChI=1S/C19H22O3/c1-4-18(19(20)21-14(2)3)22-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14,18H,4H2,1-3H3/t18-/m0/s1
InChIKeyJSSVLALMZJCJIV-SFHVURJKSA-N
MW298.38 g/mol
LogP4.46
Rot. Bonds6

About propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate

propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate (PubChem CID 7672618) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
PubChem CID7672618
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namepropan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
SMILESCC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC(C)C
InChIInChI=1S/C19H22O3/c1-4-18(19(20)21-14(2)3)22-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14,18H,4H2,1-3H3/t18-/m0/s1
InChIKeyJSSVLALMZJCJIV-SFHVURJKSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672716
propan-2-yl 2-(2-oxo-4-phenylchromen-7-yl)oxybutanoate
CID 23878292
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]butanoate
CID 153490802
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7229925
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate?
The IUPAC name of propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate (CID 7672618) is propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate.
What is the SMILES notation for propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate?
The canonical SMILES for propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate is CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate?
The InChIKey is JSSVLALMZJCJIV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-18(19(20)21-14(2)3)22-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-14,18H,4H2,1-3H3/t18-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate?
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate has a molecular weight of 298.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate is sourced from PubChem (CID 7672618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).