sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide

C14H13NaO3 — CID 18779399

IUPACsodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
SMILESCOc1cccc(C(=O)c2ccccc2)c1.[Na+].[OH-]
InChIInChI=1S/C14H12O2.Na.H2O/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11;;/h2-10H,1H3;;1H2/q;+1;/p-1
InChIKeyVJHZNYIRLHFNNQ-UHFFFAOYSA-M
MW252.25 g/mol
LogP-0.25
Rot. Bonds3

About sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide

sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide (PubChem CID 18779399) has the molecular formula C14H13NaO3 and a molecular weight of 252.25 g/mol. Its IUPAC name is sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide.

Molecular Properties

Compound Namesodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
PubChem CID18779399
Molecular FormulaC14H13NaO3
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Namesodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
SMILESCOc1cccc(C(=O)c2ccccc2)c1.[Na+].[OH-]
InChIInChI=1S/C14H12O2.Na.H2O/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11;;/h2-10H,1H3;;1H2/q;+1;/p-1
InChIKeyVJHZNYIRLHFNNQ-UHFFFAOYSA-M
XLogP-0.25
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340369
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide?
The IUPAC name of sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide (CID 18779399) is sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide.
What is the SMILES notation for sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide?
The canonical SMILES for sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide is COc1cccc(C(=O)c2ccccc2)c1.[Na+].[OH-].
What is the InChIKey of sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide?
The InChIKey is VJHZNYIRLHFNNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O2.Na.H2O/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11;;/h2-10H,1H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide?
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide has a molecular weight of 252.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide is sourced from PubChem (CID 18779399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).