acetic acid;7-methoxy-8-methylnaphthalen-2-ol

C14H16O4 — CID 71322908

IUPACacetic acid;7-methoxy-8-methylnaphthalen-2-ol
SMILESCC(=O)O.COc1ccc2ccc(O)cc2c1C
InChIInChI=1S/C12H12O2.C2H4O2/c1-8-11-7-10(13)5-3-9(11)4-6-12(8)14-2;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4)
InChIKeyFLRJXNZZCDJCKS-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.95
Rot. Bonds1

About acetic acid;7-methoxy-8-methylnaphthalen-2-ol

acetic acid;7-methoxy-8-methylnaphthalen-2-ol (PubChem CID 71322908) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is acetic acid;7-methoxy-8-methylnaphthalen-2-ol.

Molecular Properties

Compound Nameacetic acid;7-methoxy-8-methylnaphthalen-2-ol
PubChem CID71322908
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameacetic acid;7-methoxy-8-methylnaphthalen-2-ol
SMILESCC(=O)O.COc1ccc2ccc(O)cc2c1C
InChIInChI=1S/C12H12O2.C2H4O2/c1-8-11-7-10(13)5-3-9(11)4-6-12(8)14-2;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4)
InChIKeyFLRJXNZZCDJCKS-UHFFFAOYSA-N
XLogP2.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-methoxybenzene-1,4-diol
CID 70568459
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233
4-[5-(7-methoxy-8-methylnaphthalen-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 15487482
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(6-hydroxy-1-methylnaphthalen-2-yl) benzoate
CID 174705353
(6-hydroxy-1-methoxynaphthalen-2-yl) benzoate
CID 174692721
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
2,6-dimethoxy-1-methylnaphthalene
CID 68950467

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-methoxy-8-methylnaphthalen-2-ol?
The IUPAC name of acetic acid;7-methoxy-8-methylnaphthalen-2-ol (CID 71322908) is acetic acid;7-methoxy-8-methylnaphthalen-2-ol.
What is the SMILES notation for acetic acid;7-methoxy-8-methylnaphthalen-2-ol?
The canonical SMILES for acetic acid;7-methoxy-8-methylnaphthalen-2-ol is CC(=O)O.COc1ccc2ccc(O)cc2c1C.
What is the InChIKey of acetic acid;7-methoxy-8-methylnaphthalen-2-ol?
The InChIKey is FLRJXNZZCDJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.C2H4O2/c1-8-11-7-10(13)5-3-9(11)4-6-12(8)14-2;1-2(3)4/h3-7,13H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;7-methoxy-8-methylnaphthalen-2-ol?
acetic acid;7-methoxy-8-methylnaphthalen-2-ol has a molecular weight of 248.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-methoxy-8-methylnaphthalen-2-ol is sourced from PubChem (CID 71322908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).