CID 66654402

C16H18NaO — CID 66654402

IUPAC—
SMILESCCCCc1cccc(O)c1-c1ccccc1.[Na]
InChIInChI=1S/C16H18O.Na/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;/h4-7,9-12,17H,2-3,8H2,1H3;
InChIKeyZRGXFRPXHJVPCM-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.02
Rot. Bonds4

About CID 66654402

CID 66654402 (PubChem CID 66654402) has the molecular formula C16H18NaO and a molecular weight of 249.31 g/mol.

Molecular Properties

Compound NameCID 66654402
PubChem CID66654402
Molecular FormulaC16H18NaO
Molecular Weight249.31 g/mol
Exact Mass249.13
IUPAC Name—
SMILESCCCCc1cccc(O)c1-c1ccccc1.[Na]
InChIInChI=1S/C16H18O.Na/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;/h4-7,9-12,17H,2-3,8H2,1H3;
InChIKeyZRGXFRPXHJVPCM-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;3-butyl-2-phenylphenol;hydride
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1-hexyl-2,3-diphenylbenzene
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CID 159940559
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
(3-butyl-2-phenylphenyl) hydrogen sulfate
CID 66641312
CID 158595082
CID 158595082
1-butyl-2-phenyl-3-(2-phenylethynyl)benzene;2-methylprop-2-enoic acid
CID 70021297
3-(3-hydroxypropyl)-2-(2-phenylphenyl)phenol
CID 174428915
3-docosyl-2-phenylbenzenesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of CID 66654402?
The IUPAC name of CID 66654402 (CID 66654402) is not available.
What is the SMILES notation for CID 66654402?
The canonical SMILES for CID 66654402 is CCCCc1cccc(O)c1-c1ccccc1.[Na].
What is the InChIKey of CID 66654402?
The InChIKey is ZRGXFRPXHJVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.Na/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;/h4-7,9-12,17H,2-3,8H2,1H3;.
What are the key properties of CID 66654402?
CID 66654402 has a molecular weight of 249.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66654402 is sourced from PubChem (CID 66654402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).