3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C14H19ClO2 — CID 117390115

IUPAC3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(CO)c1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C14H19ClO2/c1-14(2,8-16)12-10-6-4-3-5-9(10)7-11(15)13(12)17/h7,16-17H,3-6,8H2,1-2H3
InChIKeyQQUWAZMAUAOHPD-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.19
Rot. Bonds2

About 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117390115) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117390115
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(CO)c1c(O)c(Cl)cc2c1CCCC2
InChIInChI=1S/C14H19ClO2/c1-14(2,8-16)12-10-6-4-3-5-9(10)7-11(15)13(12)17/h7,16-17H,3-6,8H2,1-2H3
InChIKeyQQUWAZMAUAOHPD-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-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 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117390115) is 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(CO)c1c(O)c(Cl)cc2c1CCCC2.
What is the InChIKey of 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is QQUWAZMAUAOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-14(2,8-16)12-10-6-4-3-5-9(10)7-11(15)13(12)17/h7,16-17H,3-6,8H2,1-2H3.
What are the key properties of 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 254.76 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117390115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).