1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride

C12H10Cl3O2V-3 — CID 174494917

IUPAC1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
SMILESCC(=O)c1ccc2ccccc2c1O.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C12H10O2.3ClH.V/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14;;;;/h2-7,14H,1H3;3*1H;/p-3
InChIKeyQACONVBKYDNTTD-UHFFFAOYSA-K
MW343.51 g/mol
LogP-6.24
Rot. Bonds1

About 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride

1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride (PubChem CID 174494917) has the molecular formula C12H10Cl3O2V-3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride.

Molecular Properties

Compound Name1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
PubChem CID174494917
Molecular FormulaC12H10Cl3O2V-3
Molecular Weight343.51 g/mol
Exact Mass341.92
IUPAC Name1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
SMILESCC(=O)c1ccc2ccccc2c1O.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C12H10O2.3ClH.V/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14;;;;/h2-7,14H,1H3;3*1H;/p-3
InChIKeyQACONVBKYDNTTD-UHFFFAOYSA-K
XLogP-6.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 5-6.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
1-hydroxy-N-(3-methylcyclobutyl)naphthalene-2-carboxamide
CID 115671062
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride?
The IUPAC name of 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride (CID 174494917) is 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride.
What is the SMILES notation for 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride?
The canonical SMILES for 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride is CC(=O)c1ccc2ccccc2c1O.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride?
The InChIKey is QACONVBKYDNTTD-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O2.3ClH.V/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14;;;;/h2-7,14H,1H3;3*1H;/p-3.
What are the key properties of 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride?
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride has a molecular weight of 343.51 g/mol, XLogP of -6.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride is sourced from PubChem (CID 174494917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).