naphthalene;hydrate

C20H18O — CID 19828935

IUPACnaphthalene;hydrate
SMILESO.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.H2O/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-8H;1H2
InChIKeyBERSAAAGQZXGBK-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.85
Rot. Bonds

About naphthalene;hydrate

naphthalene;hydrate (PubChem CID 19828935) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is naphthalene;hydrate.

Molecular Properties

Compound Namenaphthalene;hydrate
PubChem CID19828935
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Namenaphthalene;hydrate
SMILESO.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/2C10H8.H2O/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-8H;1H2
InChIKeyBERSAAAGQZXGBK-UHFFFAOYSA-N
XLogP4.85
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of naphthalene;hydrate?
The IUPAC name of naphthalene;hydrate (CID 19828935) is naphthalene;hydrate.
What is the SMILES notation for naphthalene;hydrate?
The canonical SMILES for naphthalene;hydrate is O.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;hydrate?
The InChIKey is BERSAAAGQZXGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.H2O/c2*1-2-6-10-8-4-3-7-9(10)5-1;/h2*1-8H;1H2.
What are the key properties of naphthalene;hydrate?
naphthalene;hydrate has a molecular weight of 274.36 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;hydrate is sourced from PubChem (CID 19828935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).