anthracen-9-ylmethyl acetate

C17H14O2 — CID 27876

IUPACanthracen-9-ylmethyl acetate
SMILESCC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H14O2/c1-12(18)19-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17/h2-10H,11H2,1H3
InChIKeyBFEHYQIEGSRACK-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.06
Rot. Bonds2

About anthracen-9-ylmethyl acetate

anthracen-9-ylmethyl acetate (PubChem CID 27876) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is anthracen-9-ylmethyl acetate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl acetate
PubChem CID27876
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Nameanthracen-9-ylmethyl acetate
SMILESCC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H14O2/c1-12(18)19-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17/h2-10H,11H2,1H3
InChIKeyBFEHYQIEGSRACK-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
anthracen-9-ylmethyl 2,2-difluoropropanoate
CID 58226293
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
anthracen-9-ylmethyl 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 101168838
ethyl acetate;phenanthrene
CID 160726264
bis(anthracen-9-ylmethyl) 4-oxooxetane-2,3-dicarboxylate
CID 88949395
(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
CID 154175956
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
1-O-(anthracen-9-ylmethyl) 5-O-(hydroxymethyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 59974841

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl acetate?
The IUPAC name of anthracen-9-ylmethyl acetate (CID 27876) is anthracen-9-ylmethyl acetate.
What is the SMILES notation for anthracen-9-ylmethyl acetate?
The canonical SMILES for anthracen-9-ylmethyl acetate is CC(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl acetate?
The InChIKey is BFEHYQIEGSRACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-12(18)19-11-17-15-8-4-2-6-13(15)10-14-7-3-5-9-16(14)17/h2-10H,11H2,1H3.
What are the key properties of anthracen-9-ylmethyl acetate?
anthracen-9-ylmethyl acetate has a molecular weight of 250.30 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl acetate is sourced from PubChem (CID 27876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).