(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol

C22H21NO — CID 95559383

IUPAC(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@@]1([C@@H](c2ccccc2)c2ccccn2)CCCc2ccccc21
InChIInChI=1S/C22H21NO/c24-22(15-8-12-17-9-4-5-13-19(17)22)21(18-10-2-1-3-11-18)20-14-6-7-16-23-20/h1-7,9-11,13-14,16,21,24H,8,12,15H2/t21-,22-/m0/s1
InChIKeyCJPSKHSJOBNTAC-VXKWHMMOSA-N
MW315.42 g/mol
LogP4.44
Rot. Bonds3

About (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol

(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 95559383) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID95559383
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@@]1([C@@H](c2ccccc2)c2ccccn2)CCCc2ccccc21
InChIInChI=1S/C22H21NO/c24-22(15-8-12-17-9-4-5-13-19(17)22)21(18-10-2-1-3-11-18)20-14-6-7-16-23-20/h1-7,9-11,13-14,16,21,24H,8,12,15H2/t21-,22-/m0/s1
InChIKeyCJPSKHSJOBNTAC-VXKWHMMOSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 95559383) is (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol is O[C@@]1([C@@H](c2ccccc2)c2ccccn2)CCCc2ccccc21.
What is the InChIKey of (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is CJPSKHSJOBNTAC-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H21NO/c24-22(15-8-12-17-9-4-5-13-19(17)22)21(18-10-2-1-3-11-18)20-14-6-7-16-23-20/h1-7,9-11,13-14,16,21,24H,8,12,15H2/t21-,22-/m0/s1.
What are the key properties of (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol?
(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 315.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 95559383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).