(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

C13H18O — CID 115417791

IUPAC(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1ccc(C)c2c1C(C)CC[C@@H]2O
InChIInChI=1S/C13H18O/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11,14H,6-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyWXRITLBHPNTYQQ-UMJHXOGRSA-N
MW190.29 g/mol
LogP3.23
Rot. Bonds

About (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417791) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417791
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCc1ccc(C)c2c1C(C)CC[C@@H]2O
InChIInChI=1S/C13H18O/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11,14H,6-7H2,1-3H3/t9?,11-/m0/s1
InChIKeyWXRITLBHPNTYQQ-UMJHXOGRSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417791) is (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is Cc1ccc(C)c2c1C(C)CC[C@@H]2O.
What is the InChIKey of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is WXRITLBHPNTYQQ-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H18O/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11,14H,6-7H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).