[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid

C18H24NO4P — CID 118941466

IUPAC[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid
SMILESCOc1ccc(C(c2ccc(CO)cc2)N(C(C)C)P(O)O)cc1
InChIInChI=1S/C18H24NO4P/c1-13(2)19(24(21)22)18(15-6-4-14(12-20)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,20-22H,12H2,1-3H3
InChIKeyAWXDLUQKLDREBX-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.20
Rot. Bonds7

About [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid

[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid (PubChem CID 118941466) has the molecular formula C18H24NO4P and a molecular weight of 349.37 g/mol. Its IUPAC name is [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid.

Molecular Properties

Compound Name[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid
PubChem CID118941466
Molecular FormulaC18H24NO4P
Molecular Weight349.37 g/mol
Exact Mass349.14
IUPAC Name[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid
SMILESCOc1ccc(C(c2ccc(CO)cc2)N(C(C)C)P(O)O)cc1
InChIInChI=1S/C18H24NO4P/c1-13(2)19(24(21)22)18(15-6-4-14(12-20)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,20-22H,12H2,1-3H3
InChIKeyAWXDLUQKLDREBX-UHFFFAOYSA-N
XLogP3.20
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol
CID 58133230
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
cumene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;(4-propan-2-ylphenyl)methanol
CID 157414153
2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 116913421

Frequently Asked Questions

What is the IUPAC name of [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid?
The IUPAC name of [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid (CID 118941466) is [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid.
What is the SMILES notation for [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid?
The canonical SMILES for [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid is COc1ccc(C(c2ccc(CO)cc2)N(C(C)C)P(O)O)cc1.
What is the InChIKey of [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid?
The InChIKey is AWXDLUQKLDREBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO4P/c1-13(2)19(24(21)22)18(15-6-4-14(12-20)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,20-22H,12H2,1-3H3.
What are the key properties of [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid?
[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid has a molecular weight of 349.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid is sourced from PubChem (CID 118941466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).