(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

C13H17ClO — CID 115417912

IUPAC(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1cc(Cl)c(C)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C13H17ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11,15H,4-5H2,1-3H3/t7?,11-/m1/s1
InChIKeySHYLXRYNBOWQRZ-PLNQYNMKSA-N
MW224.73 g/mol
LogP3.89
Rot. Bonds

About (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417912) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417912
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1cc(Cl)c(C)c2c1C(C)CC[C@H]2O
InChIInChI=1S/C13H17ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11,15H,4-5H2,1-3H3/t7?,11-/m1/s1
InChIKeySHYLXRYNBOWQRZ-PLNQYNMKSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417912) is (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is Cc1cc(Cl)c(C)c2c1C(C)CC[C@H]2O.
What is the InChIKey of (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is SHYLXRYNBOWQRZ-PLNQYNMKSA-N. The full InChI is InChI=1S/C13H17ClO/c1-7-4-5-11(15)13-9(3)10(14)6-8(2)12(7)13/h6-7,11,15H,4-5H2,1-3H3/t7?,11-/m1/s1.
What are the key properties of (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).