3,4,5-trimethylnaphthalen-1-ol

C13H14O — CID 54424732

IUPAC3,4,5-trimethylnaphthalen-1-ol
SMILESCc1cc(O)c2cccc(C)c2c1C
InChIInChI=1S/C13H14O/c1-8-5-4-6-11-12(14)7-9(2)10(3)13(8)11/h4-7,14H,1-3H3
InChIKeyMFJJKXFPTHTWBD-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.47
Rot. Bonds

About 3,4,5-trimethylnaphthalen-1-ol

3,4,5-trimethylnaphthalen-1-ol (PubChem CID 54424732) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3,4,5-trimethylnaphthalen-1-ol.

Molecular Properties

Compound Name3,4,5-trimethylnaphthalen-1-ol
PubChem CID54424732
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3,4,5-trimethylnaphthalen-1-ol
SMILESCc1cc(O)c2cccc(C)c2c1C
InChIInChI=1S/C13H14O/c1-8-5-4-6-11-12(14)7-9(2)10(3)13(8)11/h4-7,14H,1-3H3
InChIKeyMFJJKXFPTHTWBD-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylnaphthalen-1-ol?
The IUPAC name of 3,4,5-trimethylnaphthalen-1-ol (CID 54424732) is 3,4,5-trimethylnaphthalen-1-ol.
What is the SMILES notation for 3,4,5-trimethylnaphthalen-1-ol?
The canonical SMILES for 3,4,5-trimethylnaphthalen-1-ol is Cc1cc(O)c2cccc(C)c2c1C.
What is the InChIKey of 3,4,5-trimethylnaphthalen-1-ol?
The InChIKey is MFJJKXFPTHTWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-8-5-4-6-11-12(14)7-9(2)10(3)13(8)11/h4-7,14H,1-3H3.
What are the key properties of 3,4,5-trimethylnaphthalen-1-ol?
3,4,5-trimethylnaphthalen-1-ol has a molecular weight of 186.25 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylnaphthalen-1-ol is sourced from PubChem (CID 54424732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).