2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile

C16H15NO — CID 10728581

IUPAC2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile
SMILESCOc1ccc2cccc3c2c1CCC3CC#N
InChIInChI=1S/C16H15NO/c1-18-15-8-6-12-3-2-4-13-11(9-10-17)5-7-14(15)16(12)13/h2-4,6,8,11H,5,7,9H2,1H3
InChIKeyUXQKKPMFRWKGEY-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile

2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile (PubChem CID 10728581) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile
PubChem CID10728581
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile
SMILESCOc1ccc2cccc3c2c1CCC3CC#N
InChIInChI=1S/C16H15NO/c1-18-15-8-6-12-3-2-4-13-11(9-10-17)5-7-14(15)16(12)13/h2-4,6,8,11H,5,7,9H2,1H3
InChIKeyUXQKKPMFRWKGEY-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-9-methoxy-2,3-dihydro-1H-phenalen-1-yl]acetonitrile
CID 124506949
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
CID 18466097
(2E)-2-(4-methoxy-2,3-dihydrophenalen-1-ylidene)acetonitrile
CID 10633518
(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-3-yl)methanamine
CID 18466234
N-[(4-phenylmethoxy-2,3-dihydro-1H-phenalen-1-yl)methyl]cyclopropanecarboxamide
CID 15859300
N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]cyclopropanecarboxamide
CID 10640828
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
2-(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
CID 19092198
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile?
The IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile (CID 10728581) is 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile?
The canonical SMILES for 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile is COc1ccc2cccc3c2c1CCC3CC#N.
What is the InChIKey of 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile?
The InChIKey is UXQKKPMFRWKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-15-8-6-12-3-2-4-13-11(9-10-17)5-7-14(15)16(12)13/h2-4,6,8,11H,5,7,9H2,1H3.
What are the key properties of 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile?
2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)acetonitrile is sourced from PubChem (CID 10728581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).