carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium

C16H17O3Y- — CID 158307427

IUPACcarbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
SMILESCCOc1ccc(C(=O)c2ccccc2)c(O)c1.[CH3-].[Y]
InChIInChI=1S/C15H14O3.CH3.Y/c1-2-18-12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;;/h3-10,16H,2H2,1H3;1H3;/q;-1;
InChIKeyXKZHRQNHOYMPEX-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.47
Rot. Bonds4

About carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium

carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium (PubChem CID 158307427) has the molecular formula C16H17O3Y- and a molecular weight of 346.22 g/mol. Its IUPAC name is carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium.

Molecular Properties

Compound Namecarbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
PubChem CID158307427
Molecular FormulaC16H17O3Y-
Molecular Weight346.22 g/mol
Exact Mass346.02
IUPAC Namecarbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
SMILESCCOc1ccc(C(=O)c2ccccc2)c(O)c1.[CH3-].[Y]
InChIInChI=1S/C15H14O3.CH3.Y/c1-2-18-12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;;/h3-10,16H,2H2,1H3;1H3;/q;-1;
InChIKeyXKZHRQNHOYMPEX-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
2-(4-benzoyl-3-hydroxyphenoxy)ethyl butanoate
CID 166903614
CID 70366662
CID 70366662

Frequently Asked Questions

What is the IUPAC name of carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium?
The IUPAC name of carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium (CID 158307427) is carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium.
What is the SMILES notation for carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium?
The canonical SMILES for carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium is CCOc1ccc(C(=O)c2ccccc2)c(O)c1.[CH3-].[Y].
What is the InChIKey of carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium?
The InChIKey is XKZHRQNHOYMPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.CH3.Y/c1-2-18-12-8-9-13(14(16)10-12)15(17)11-6-4-3-5-7-11;;/h3-10,16H,2H2,1H3;1H3;/q;-1;.
What are the key properties of carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium?
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium has a molecular weight of 346.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium is sourced from PubChem (CID 158307427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).