[(1R)-1-(2-methylphenyl)ethyl] acetate

C11H14O2 — CID 11062959

IUPAC[(1R)-1-(2-methylphenyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccccc1C
InChIInChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyNOQHVSZXSJFXQW-SECBINFHSA-N
MW178.23 g/mol
LogP2.62
Rot. Bonds2

About [(1R)-1-(2-methylphenyl)ethyl] acetate

[(1R)-1-(2-methylphenyl)ethyl] acetate (PubChem CID 11062959) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(1R)-1-(2-methylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(2-methylphenyl)ethyl] acetate
PubChem CID11062959
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(1R)-1-(2-methylphenyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1ccccc1C
InChIInChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyNOQHVSZXSJFXQW-SECBINFHSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1S)-1-(2-bromophenyl)ethyl] acetate
CID 130609094
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
CID 87619875
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
CID 19362082
CID 19362082
O-[1-(2-methylphenyl)ethyl]hydroxylamine
CID 117104896
[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate
CID 166949030
[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
CID 118487629
acetic acid;(2-methylphenyl)methanediol
CID 71361235

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-methylphenyl)ethyl] acetate?
The IUPAC name of [(1R)-1-(2-methylphenyl)ethyl] acetate (CID 11062959) is [(1R)-1-(2-methylphenyl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(2-methylphenyl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(2-methylphenyl)ethyl] acetate is CC(=O)O[C@H](C)c1ccccc1C.
What is the InChIKey of [(1R)-1-(2-methylphenyl)ethyl] acetate?
The InChIKey is NOQHVSZXSJFXQW-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-4-5-7-11(8)9(2)13-10(3)12/h4-7,9H,1-3H3/t9-/m1/s1.
What are the key properties of [(1R)-1-(2-methylphenyl)ethyl] acetate?
[(1R)-1-(2-methylphenyl)ethyl] acetate has a molecular weight of 178.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-methylphenyl)ethyl] acetate is sourced from PubChem (CID 11062959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).