[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone

C20H23O5P — CID 21217250

IUPAC[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1ccccc1OC)C(=O)c1ccccc1OC
InChIInChI=1S/C20H23O5P/c1-5-14(2)26(23,19(21)15-10-6-8-12-17(15)24-3)20(22)16-11-7-9-13-18(16)25-4/h6-14H,5H2,1-4H3
InChIKeyYDHBVJQAXLQNAS-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.85
Rot. Bonds8

About [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone

[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone (PubChem CID 21217250) has the molecular formula C20H23O5P and a molecular weight of 374.37 g/mol. Its IUPAC name is [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
PubChem CID21217250
Molecular FormulaC20H23O5P
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1ccccc1OC)C(=O)c1ccccc1OC
InChIInChI=1S/C20H23O5P/c1-5-14(2)26(23,19(21)15-10-6-8-12-17(15)24-3)20(22)16-11-7-9-13-18(16)25-4/h6-14H,5H2,1-4H3
InChIKeyYDHBVJQAXLQNAS-UHFFFAOYSA-N
XLogP4.85
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
CID 22183560
butan-2-yl 2-methoxybenzenecarboperoxoate
CID 173265515
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone?
The IUPAC name of [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone (CID 21217250) is [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone is CCC(C)P(=O)(C(=O)c1ccccc1OC)C(=O)c1ccccc1OC.
What is the InChIKey of [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone?
The InChIKey is YDHBVJQAXLQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O5P/c1-5-14(2)26(23,19(21)15-10-6-8-12-17(15)24-3)20(22)16-11-7-9-13-18(16)25-4/h6-14H,5H2,1-4H3.
What are the key properties of [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone?
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone has a molecular weight of 374.37 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 21217250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).