butyl 2-(9,10-dihydroanthracen-9-yl)acetate

C20H22O2 — CID 162412897

IUPACbutyl 2-(9,10-dihydroanthracen-9-yl)acetate
SMILESCCCCOC(=O)CC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H22O2/c1-2-3-12-22-20(21)14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,19H,2-3,12-14H2,1H3
InChIKeyZMSGLRDRHXLPRV-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.46
Rot. Bonds5

About butyl 2-(9,10-dihydroanthracen-9-yl)acetate

butyl 2-(9,10-dihydroanthracen-9-yl)acetate (PubChem CID 162412897) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is butyl 2-(9,10-dihydroanthracen-9-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(9,10-dihydroanthracen-9-yl)acetate
PubChem CID162412897
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Namebutyl 2-(9,10-dihydroanthracen-9-yl)acetate
SMILESCCCCOC(=O)CC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H22O2/c1-2-3-12-22-20(21)14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,19H,2-3,12-14H2,1H3
InChIKeyZMSGLRDRHXLPRV-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 60680631
ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
CID 165437215
butyl 3-(3H-inden-1-yl)propanoate
CID 22758162
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
dibutyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 3106700
1-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 23106910
decyl 2,3-dihydro-1H-indene-2-carboxylate
CID 122577594
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
dodecyl 5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoate
CID 91719313
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
butyl 2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)acetate
CID 102236474
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418

Frequently Asked Questions

What is the IUPAC name of butyl 2-(9,10-dihydroanthracen-9-yl)acetate?
The IUPAC name of butyl 2-(9,10-dihydroanthracen-9-yl)acetate (CID 162412897) is butyl 2-(9,10-dihydroanthracen-9-yl)acetate.
What is the SMILES notation for butyl 2-(9,10-dihydroanthracen-9-yl)acetate?
The canonical SMILES for butyl 2-(9,10-dihydroanthracen-9-yl)acetate is CCCCOC(=O)CC1c2ccccc2Cc2ccccc21.
What is the InChIKey of butyl 2-(9,10-dihydroanthracen-9-yl)acetate?
The InChIKey is ZMSGLRDRHXLPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-12-22-20(21)14-19-17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11,19H,2-3,12-14H2,1H3.
What are the key properties of butyl 2-(9,10-dihydroanthracen-9-yl)acetate?
butyl 2-(9,10-dihydroanthracen-9-yl)acetate has a molecular weight of 294.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(9,10-dihydroanthracen-9-yl)acetate is sourced from PubChem (CID 162412897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).