7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol

C22H21NO — CID 139913698

IUPAC7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H21NO/c24-22-13-7-8-17-14-15-20(16-21(17)22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,20,24H,14-16H2
InChIKeyNDDOFOWPKSBGCD-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.09
Rot. Bonds3

About 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol

7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 139913698) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID139913698
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC(N(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C22H21NO/c24-22-13-7-8-17-14-15-20(16-21(17)22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,20,24H,14-16H2
InChIKeyNDDOFOWPKSBGCD-UHFFFAOYSA-N
XLogP5.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 139913698) is 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CC(N(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NDDOFOWPKSBGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-22-13-7-8-17-14-15-20(16-21(17)22)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,20,24H,14-16H2.
What are the key properties of 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 315.42 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-phenylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 139913698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).