propan-2-yl (3R)-3-(4-methylphenyl)butanoate

C14H20O2 — CID 101090137

IUPACpropan-2-yl (3R)-3-(4-methylphenyl)butanoate
SMILESCc1ccc([C@H](C)CC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)16-14(15)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1
InChIKeyXERWRPKHRKGBEM-GFCCVEGCSA-N
MW220.31 g/mol
LogP3.44
Rot. Bonds4

About propan-2-yl (3R)-3-(4-methylphenyl)butanoate

propan-2-yl (3R)-3-(4-methylphenyl)butanoate (PubChem CID 101090137) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is propan-2-yl (3R)-3-(4-methylphenyl)butanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-(4-methylphenyl)butanoate
PubChem CID101090137
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namepropan-2-yl (3R)-3-(4-methylphenyl)butanoate
SMILESCc1ccc([C@H](C)CC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)16-14(15)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1
InChIKeyXERWRPKHRKGBEM-GFCCVEGCSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
propan-2-yl N-[(3S)-2-methyl-6-(4-methylphenyl)-4-oxoheptan-3-yl]carbamate
CID 58079287
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
propan-2-yl 3-(4-methylphenyl)-3-oxopropanoate
CID 22925329
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
propan-2-yl 3-(1-hydroxy-2-methylpropoxy)-4-(4-methylphenoxy)butanoate
CID 20718970
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-(4-methylphenyl)butanoate?
The IUPAC name of propan-2-yl (3R)-3-(4-methylphenyl)butanoate (CID 101090137) is propan-2-yl (3R)-3-(4-methylphenyl)butanoate.
What is the SMILES notation for propan-2-yl (3R)-3-(4-methylphenyl)butanoate?
The canonical SMILES for propan-2-yl (3R)-3-(4-methylphenyl)butanoate is Cc1ccc([C@H](C)CC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl (3R)-3-(4-methylphenyl)butanoate?
The InChIKey is XERWRPKHRKGBEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)16-14(15)9-12(4)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-(4-methylphenyl)butanoate?
propan-2-yl (3R)-3-(4-methylphenyl)butanoate has a molecular weight of 220.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-(4-methylphenyl)butanoate is sourced from PubChem (CID 101090137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).