(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol

C20H22O2 — CID 10957368

IUPAC(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@@]1([C@]2(O)CCCc3ccccc32)CCCc2ccccc21
InChIInChI=1S/C20H22O2/c21-19(13-5-9-15-7-1-3-11-17(15)19)20(22)14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,21-22H,5-6,9-10,13-14H2/t19-,20-/m0/s1
InChIKeyNWRIGEFCBBOBBL-PMACEKPBSA-N
MW294.39 g/mol
LogP3.43
Rot. Bonds1

About (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol

(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 10957368) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID10957368
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESO[C@@]1([C@]2(O)CCCc3ccccc32)CCCc2ccccc21
InChIInChI=1S/C20H22O2/c21-19(13-5-9-15-7-1-3-11-17(15)19)20(22)14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,21-22H,5-6,9-10,13-14H2/t19-,20-/m0/s1
InChIKeyNWRIGEFCBBOBBL-PMACEKPBSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol with MolForge

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Related Compounds

1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
4-ethyl-1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclohexane-1-carbonitrile
CID 79115229
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 102249674
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol (CID 10957368) is (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol is O[C@@]1([C@]2(O)CCCc3ccccc32)CCCc2ccccc21.
What is the InChIKey of (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is NWRIGEFCBBOBBL-PMACEKPBSA-N. The full InChI is InChI=1S/C20H22O2/c21-19(13-5-9-15-7-1-3-11-17(15)19)20(22)14-6-10-16-8-2-4-12-18(16)20/h1-4,7-8,11-12,21-22H,5-6,9-10,13-14H2/t19-,20-/m0/s1.
What are the key properties of (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol?
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 10957368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).