3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile

C18H17NO2 — CID 65408987

IUPAC3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile
SMILESCOc1ccccc1CC1(C#N)COc2ccccc2C1
InChIInChI=1S/C18H17NO2/c1-20-16-8-4-2-6-14(16)10-18(12-19)11-15-7-3-5-9-17(15)21-13-18/h2-9H,10-11,13H2,1H3
InChIKeyWOMLQWLTDQENQL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.38
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile

3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile (PubChem CID 65408987) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile
PubChem CID65408987
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile
SMILESCOc1ccccc1CC1(C#N)COc2ccccc2C1
InChIInChI=1S/C18H17NO2/c1-20-16-8-4-2-6-14(16)10-18(12-19)11-15-7-3-5-9-17(15)21-13-18/h2-9H,10-11,13H2,1H3
InChIKeyWOMLQWLTDQENQL-UHFFFAOYSA-N
XLogP3.38
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2,4-dihydrochromene-3-carbonitrile
CID 65409375
3-[2-(2-methoxyethoxy)ethyl]-2,4-dihydrochromene-3-carbonitrile
CID 65407838
3-[(4-bromo-2-fluorophenyl)methyl]-2,4-dihydrochromene-3-carbonitrile
CID 65408219
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367
3-[2-(2-hydroxyethoxy)ethyl]-2,4-dihydrochromene-3-carbonitrile
CID 114277457
3-[2-(3-methylbutoxy)ethyl]-2,4-dihydrochromene-3-carbonitrile
CID 65409378
4-tert-butyl-1-[(2-methoxyphenyl)methyl]cyclohexane-1-carbonitrile
CID 65402654
4-[(2-methoxyphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65419418
3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
CID 122164502
3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile (CID 65408987) is 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile is COc1ccccc1CC1(C#N)COc2ccccc2C1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile?
The InChIKey is WOMLQWLTDQENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-16-8-4-2-6-14(16)10-18(12-19)11-15-7-3-5-9-17(15)21-13-18/h2-9H,10-11,13H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile?
3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2,4-dihydrochromene-3-carbonitrile is sourced from PubChem (CID 65408987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).