acetic acid;1,8-dimethylnaphthalen-2-ol

C14H16O3 — CID 71380004

IUPACacetic acid;1,8-dimethylnaphthalen-2-ol
SMILESCC(=O)O.Cc1cccc2ccc(O)c(C)c12
InChIInChI=1S/C12H12O.C2H4O2/c1-8-4-3-5-10-6-7-11(13)9(2)12(8)10;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4)
InChIKeyARBHHQVBCRSDLO-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.25
Rot. Bonds

About acetic acid;1,8-dimethylnaphthalen-2-ol

acetic acid;1,8-dimethylnaphthalen-2-ol (PubChem CID 71380004) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is acetic acid;1,8-dimethylnaphthalen-2-ol.

Molecular Properties

Compound Nameacetic acid;1,8-dimethylnaphthalen-2-ol
PubChem CID71380004
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameacetic acid;1,8-dimethylnaphthalen-2-ol
SMILESCC(=O)O.Cc1cccc2ccc(O)c(C)c12
InChIInChI=1S/C12H12O.C2H4O2/c1-8-4-3-5-10-6-7-11(13)9(2)12(8)10;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4)
InChIKeyARBHHQVBCRSDLO-UHFFFAOYSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,8-dimethylnaphthalen-2-ol?
The IUPAC name of acetic acid;1,8-dimethylnaphthalen-2-ol (CID 71380004) is acetic acid;1,8-dimethylnaphthalen-2-ol.
What is the SMILES notation for acetic acid;1,8-dimethylnaphthalen-2-ol?
The canonical SMILES for acetic acid;1,8-dimethylnaphthalen-2-ol is CC(=O)O.Cc1cccc2ccc(O)c(C)c12.
What is the InChIKey of acetic acid;1,8-dimethylnaphthalen-2-ol?
The InChIKey is ARBHHQVBCRSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C2H4O2/c1-8-4-3-5-10-6-7-11(13)9(2)12(8)10;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,8-dimethylnaphthalen-2-ol?
acetic acid;1,8-dimethylnaphthalen-2-ol has a molecular weight of 232.28 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,8-dimethylnaphthalen-2-ol is sourced from PubChem (CID 71380004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).