6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C18H26O3 — CID 3043997

IUPAC6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@@]1(CCO)[C@H](O)CC[C@H]1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C18H26O3/c1-18(8-9-19)16(6-7-17(18)21)14-3-2-13-11-15(20)5-4-12(13)10-14/h4-5,11,14,16-17,19-21H,2-3,6-10H2,1H3/t14?,16-,17+,18-/m0/s1
InChIKeyZUYJNKZTFXYLDC-ONQFOCNCSA-N
MW290.40 g/mol
LogP2.66
Rot. Bonds3

About 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 3043997) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID3043997
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@@]1(CCO)[C@H](O)CC[C@H]1C1CCc2cc(O)ccc2C1
InChIInChI=1S/C18H26O3/c1-18(8-9-19)16(6-7-17(18)21)14-3-2-13-11-15(20)5-4-12(13)10-14/h4-5,11,14,16-17,19-21H,2-3,6-10H2,1H3/t14?,16-,17+,18-/m0/s1
InChIKeyZUYJNKZTFXYLDC-ONQFOCNCSA-N
XLogP2.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 3043997) is 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol is C[C@@]1(CCO)[C@H](O)CC[C@H]1C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZUYJNKZTFXYLDC-ONQFOCNCSA-N. The full InChI is InChI=1S/C18H26O3/c1-18(8-9-19)16(6-7-17(18)21)14-3-2-13-11-15(20)5-4-12(13)10-14/h4-5,11,14,16-17,19-21H,2-3,6-10H2,1H3/t14?,16-,17+,18-/m0/s1.
What are the key properties of 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 290.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2S,3R)-3-hydroxy-2-(2-hydroxyethyl)-2-methylcyclopentyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 3043997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).