(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol

C18H15NO — CID 58098334

IUPAC(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15NO/c20-18-13-6-2-1-5-12(13)9-10-15(18)16-11-19-17-8-4-3-7-14(16)17/h1-11,15,18-20H/t15-,18+/m0/s1
InChIKeyNUNGRSHZZMEKGW-MAUKXSAKSA-N
MW261.32 g/mol
LogP4.01
Rot. Bonds1

About (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol (PubChem CID 58098334) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol
PubChem CID58098334
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C=C[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15NO/c20-18-13-6-2-1-5-12(13)9-10-15(18)16-11-19-17-8-4-3-7-14(16)17/h1-11,15,18-20H/t15-,18+/m0/s1
InChIKeyNUNGRSHZZMEKGW-MAUKXSAKSA-N
XLogP4.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol (CID 58098334) is (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2ccccc2C=C[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is NUNGRSHZZMEKGW-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H15NO/c20-18-13-6-2-1-5-12(13)9-10-15(18)16-11-19-17-8-4-3-7-14(16)17/h1-11,15,18-20H/t15-,18+/m0/s1.
What are the key properties of (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 261.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(1H-indol-3-yl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 58098334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).