CID 67883357

C18H14NaO3 — CID 67883357

IUPAC—
SMILESO=C(O)c1ccc(OCc2cccc3ccccc23)cc1.[Na]
InChIInChI=1S/C18H14O3.Na/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15;/h1-11H,12H2,(H,19,20);
InChIKeyAQRBKTTUQIYLDO-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.74
Rot. Bonds4

About CID 67883357

CID 67883357 (PubChem CID 67883357) has the molecular formula C18H14NaO3 and a molecular weight of 301.30 g/mol.

Molecular Properties

Compound NameCID 67883357
PubChem CID67883357
Molecular FormulaC18H14NaO3
Molecular Weight301.30 g/mol
Exact Mass301.08
IUPAC Name—
SMILESO=C(O)c1ccc(OCc2cccc3ccccc23)cc1.[Na]
InChIInChI=1S/C18H14O3.Na/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15;/h1-11H,12H2,(H,19,20);
InChIKeyAQRBKTTUQIYLDO-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(naphthalen-1-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanethione
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4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
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4-(naphthalen-1-ylmethoxy)-N-phenylaniline
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4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
4-[1-[2-(phenoxymethyl)phenyl]ethenyl]benzoic acid
CID 22400872
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4-(4-phenylmethoxybenzoyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 67883357?
The IUPAC name of CID 67883357 (CID 67883357) is not available.
What is the SMILES notation for CID 67883357?
The canonical SMILES for CID 67883357 is O=C(O)c1ccc(OCc2cccc3ccccc23)cc1.[Na].
What is the InChIKey of CID 67883357?
The InChIKey is AQRBKTTUQIYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3.Na/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15;/h1-11H,12H2,(H,19,20);.
What are the key properties of CID 67883357?
CID 67883357 has a molecular weight of 301.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67883357 is sourced from PubChem (CID 67883357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).