2-methylnaphthalene;dihydrate

C11H14O2 — CID 174912803

IUPAC2-methylnaphthalene;dihydrate
SMILESCc1ccc2ccccc2c1.O.O
InChIInChI=1S/C11H10.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-8H,1H3;2*1H2
InChIKeyAYXACCOZMSQFMT-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.50
Rot. Bonds

About 2-methylnaphthalene;dihydrate

2-methylnaphthalene;dihydrate (PubChem CID 174912803) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methylnaphthalene;dihydrate.

Molecular Properties

Compound Name2-methylnaphthalene;dihydrate
PubChem CID174912803
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methylnaphthalene;dihydrate
SMILESCc1ccc2ccccc2c1.O.O
InChIInChI=1S/C11H10.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-8H,1H3;2*1H2
InChIKeyAYXACCOZMSQFMT-UHFFFAOYSA-N
XLogP1.50
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methylnaphthalene chloride
CID 21193556
benzene;2-methylnaphthalene
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lithium;hydride;2-methylnaphthalene
CID 175090071
2-methylnaphthalene;1,2-xylene
CID 142041411
potassium;hydride;2-methylnaphthalene;tritetrafluoroborate
CID 175179501
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
2,3-dimethylpyrazine;2-methylnaphthalene
CID 142090044
9-methylanthracene;2-methylnaphthalene
CID 159699144
butane;2-methylanthracene
CID 90696557
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
2-methylnaphthalene;pyrrolidine
CID 142171298

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene;dihydrate?
The IUPAC name of 2-methylnaphthalene;dihydrate (CID 174912803) is 2-methylnaphthalene;dihydrate.
What is the SMILES notation for 2-methylnaphthalene;dihydrate?
The canonical SMILES for 2-methylnaphthalene;dihydrate is Cc1ccc2ccccc2c1.O.O.
What is the InChIKey of 2-methylnaphthalene;dihydrate?
The InChIKey is AYXACCOZMSQFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-8H,1H3;2*1H2.
What are the key properties of 2-methylnaphthalene;dihydrate?
2-methylnaphthalene;dihydrate has a molecular weight of 178.23 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;dihydrate is sourced from PubChem (CID 174912803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).