(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol

C15H22O2 — CID 165177083

IUPAC(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol
SMILESOCCC[C@@H](CO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H22O2/c16-10-4-7-13(11-17)15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15+/m0/s1
InChIKeyCVZCOCQPBOTTJU-DZGCQCFKSA-N
MW234.34 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol

(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol (PubChem CID 165177083) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol
PubChem CID165177083
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol
SMILESOCCC[C@@H](CO)[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H22O2/c16-10-4-7-13(11-17)15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15+/m0/s1
InChIKeyCVZCOCQPBOTTJU-DZGCQCFKSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-ol
CID 82920616
2-(1,2,3,4-tetrahydronaphthalen-1-yl)butanedioic acid
CID 23057353
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 112754245
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol?
The IUPAC name of (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol (CID 165177083) is (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol.
What is the SMILES notation for (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol?
The canonical SMILES for (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol is OCCC[C@@H](CO)[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol?
The InChIKey is CVZCOCQPBOTTJU-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22O2/c16-10-4-7-13(11-17)15-9-3-6-12-5-1-2-8-14(12)15/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15+/m0/s1.
What are the key properties of (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol?
(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol has a molecular weight of 234.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol is sourced from PubChem (CID 165177083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).