benzyl acetate

C9H10O2 — CID 8785

IUPACbenzyl acetate
SMILESCC(=O)OCc1ccccc1
InChIInChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQUKGYYKBILRGFE-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.75
Rot. Bonds2

About benzyl acetate

benzyl acetate (PubChem CID 8785) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is benzyl acetate.

Molecular Properties

Compound Namebenzyl acetate
PubChem CID8785
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namebenzyl acetate
SMILESCC(=O)OCc1ccccc1
InChIInChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQUKGYYKBILRGFE-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;formonitrile
CID 175329925
benzyl acetate;carbon monoxide;chromium
CID 11196913
benzyl acetate;benzyl benzoate
CID 158805672
benzyl acetate;dodecane
CID 138609592
benzyl acetate;butyl acetate
CID 158391193
phenylmethoxycarbonyl acetate
CID 88811715
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
benzyl acetate;(2S)-2-methylpent-4-ynoic acid
CID 123800812

Frequently Asked Questions

What is the IUPAC name of benzyl acetate?
The IUPAC name of benzyl acetate (CID 8785) is benzyl acetate.
What is the SMILES notation for benzyl acetate?
The canonical SMILES for benzyl acetate is CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl acetate?
The InChIKey is QUKGYYKBILRGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of benzyl acetate?
benzyl acetate has a molecular weight of 150.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl acetate is sourced from PubChem (CID 8785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).