propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate

C14H19ClO3 — CID 174550772

IUPACpropan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
SMILESCC(C)OC(=O)CCC(O)Cc1ccccc1Cl
InChIInChI=1S/C14H19ClO3/c1-10(2)18-14(17)8-7-12(16)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyOACLJEDIJPOGIU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.98
Rot. Bonds6

About propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate

propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate (PubChem CID 174550772) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
PubChem CID174550772
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Namepropan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate
SMILESCC(C)OC(=O)CCC(O)Cc1ccccc1Cl
InChIInChI=1S/C14H19ClO3/c1-10(2)18-14(17)8-7-12(16)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3
InChIKeyOACLJEDIJPOGIU-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dipropan-2-yl 4-hydroxyheptanedioate
CID 14639378
1-(2-chlorophenyl)-4-methylsulfonylbutan-2-ol
CID 62606385
propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
CID 54940311
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
propyl N-[(2S)-3-(2-chlorophenyl)-2-hydroxypropyl]carbamate
CID 174972525
propan-2-yl 4-phenylhexanoate
CID 144552078
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733570
(3S,5S)-3-amino-6-(2-chlorophenyl)-2,5-dimethylhexanoic acid
CID 151733569
1-(2-chlorophenyl)pent-4-yn-2-ol
CID 62232785

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate?
The IUPAC name of propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate (CID 174550772) is propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate.
What is the SMILES notation for propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate?
The canonical SMILES for propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate is CC(C)OC(=O)CCC(O)Cc1ccccc1Cl.
What is the InChIKey of propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate?
The InChIKey is OACLJEDIJPOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-10(2)18-14(17)8-7-12(16)9-11-5-3-4-6-13(11)15/h3-6,10,12,16H,7-9H2,1-2H3.
What are the key properties of propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate?
propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate has a molecular weight of 270.76 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(2-chlorophenyl)-4-hydroxypentanoate is sourced from PubChem (CID 174550772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).