CID 168763649

C11H13O3 — CID 168763649

IUPAC—
SMILES[CH2]C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13O3/c1-8(14-9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1H2,2-3H3
InChIKeyQAONFPSMFQOISS-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.13
Rot. Bonds3

About CID 168763649

CID 168763649 (PubChem CID 168763649) has the molecular formula C11H13O3 and a molecular weight of 193.22 g/mol.

Molecular Properties

Compound NameCID 168763649
PubChem CID168763649
Molecular FormulaC11H13O3
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name—
SMILES[CH2]C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13O3/c1-8(14-9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1H2,2-3H3
InChIKeyQAONFPSMFQOISS-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
[(1R)-2-iodo-1-(4-methoxyphenyl)ethyl] acetate
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[2-iodo-1-(4-methoxyphenyl)propyl] acetate
CID 10947606
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
[(2R,4S)-4-acetyloxy-4-(4-methoxyphenyl)butan-2-yl] acetate
CID 134966639
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
[(4-fluorophenyl)-(4-methoxyphenyl)methyl] 2-methylprop-2-enoate
CID 89393354
[1-(4-methoxyphenyl)-4,4-dimethylpent-2-ynyl] acetate
CID 78133593
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796

Frequently Asked Questions

What is the IUPAC name of CID 168763649?
The IUPAC name of CID 168763649 (CID 168763649) is not available.
What is the SMILES notation for CID 168763649?
The canonical SMILES for CID 168763649 is [CH2]C(OC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of CID 168763649?
The InChIKey is QAONFPSMFQOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3/c1-8(14-9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1H2,2-3H3.
What are the key properties of CID 168763649?
CID 168763649 has a molecular weight of 193.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168763649 is sourced from PubChem (CID 168763649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).