CID 90816966

C10H11O2 — CID 90816966

IUPAC—
SMILES[CH2]c1ccc(COC(C)=O)cc1
InChIInChI=1S/C10H11O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,1,7H2,2H3
InChIKeyNCYQXSCXIKPTNX-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.93
Rot. Bonds2

About CID 90816966

CID 90816966 (PubChem CID 90816966) has the molecular formula C10H11O2 and a molecular weight of 163.20 g/mol.

Molecular Properties

Compound NameCID 90816966
PubChem CID90816966
Molecular FormulaC10H11O2
Molecular Weight163.20 g/mol
Exact Mass163.08
IUPAC Name—
SMILES[CH2]c1ccc(COC(C)=O)cc1
InChIInChI=1S/C10H11O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,1,7H2,2H3
InChIKeyNCYQXSCXIKPTNX-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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benzyl acetate
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(4-hydrazinylphenyl)methyl acetate
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[4-(1-hydroxyethenoxy)phenyl]methyl acetate
CID 59935011
benzyl acetate;molecular nitrogen
CID 174861862
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
benzyl acetate;carbamic acid
CID 159542161
[4-(acetyloxymethyl)phenyl]methanesulfinate
CID 174615987
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
benzyl acetate;formonitrile
CID 175329925

Frequently Asked Questions

What is the IUPAC name of CID 90816966?
The IUPAC name of CID 90816966 (CID 90816966) is not available.
What is the SMILES notation for CID 90816966?
The canonical SMILES for CID 90816966 is [CH2]c1ccc(COC(C)=O)cc1.
What is the InChIKey of CID 90816966?
The InChIKey is NCYQXSCXIKPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,1,7H2,2H3.
What are the key properties of CID 90816966?
CID 90816966 has a molecular weight of 163.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90816966 is sourced from PubChem (CID 90816966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).