6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

C14H17NO — CID 83821545

IUPAC6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESCC(C)Oc1ccc2c(c1)CCCC2C#N
InChIInChI=1S/C14H17NO/c1-10(2)16-13-6-7-14-11(8-13)4-3-5-12(14)9-15/h6-8,10,12H,3-5H2,1-2H3
InChIKeyOKLSWJHQOFQOQK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.42
Rot. Bonds2

About 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile

6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (PubChem CID 83821545) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
PubChem CID83821545
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
SMILESCC(C)Oc1ccc2c(c1)CCCC2C#N
InChIInChI=1S/C14H17NO/c1-10(2)16-13-6-7-14-11(8-13)4-3-5-12(14)9-15/h6-8,10,12H,3-5H2,1-2H3
InChIKeyOKLSWJHQOFQOQK-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 83819294
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
2-(5-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83822187
2-cyclopropyl-4-propan-2-yloxybenzonitrile
CID 176886654
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-propan-2-yloxyphenyl)thiourea
CID 133216380
1-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100729084
1,3-dimethyl-N-(6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 141279903
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CID 83821545) is 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is CC(C)Oc1ccc2c(c1)CCCC2C#N.
What is the InChIKey of 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is OKLSWJHQOFQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)16-13-6-7-14-11(8-13)4-3-5-12(14)9-15/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 83821545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).