[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone

C19H23NO3 — CID 54336810

IUPAC[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESNCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO3/c20-12-6-1-2-7-13-23-16-10-11-17(18(21)14-16)19(22)15-8-4-3-5-9-15/h3-5,8-11,14,21H,1-2,6-7,12-13,20H2
InChIKeyTWASRALGWOMING-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.52
Rot. Bonds9

About [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone

[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone (PubChem CID 54336810) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
PubChem CID54336810
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
SMILESNCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H23NO3/c20-12-6-1-2-7-13-23-16-10-11-17(18(21)14-16)19(22)15-8-4-3-5-9-15/h3-5,8-11,14,21H,1-2,6-7,12-13,20H2
InChIKeyTWASRALGWOMING-UHFFFAOYSA-N
XLogP3.52
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
12-(4-benzoyl-3-hydroxyphenoxy)dodecyl-trimethylazanium bromide
CID 163408720
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
1-[6-(4-benzoyl-3-hydroxyphenoxy)hexyl]pyrrole-2,5-dione
CID 67587668
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
[4-[3-[8-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]octoxy]-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
CID 18380077

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone (CID 54336810) is [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone is NCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is TWASRALGWOMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c20-12-6-1-2-7-13-23-16-10-11-17(18(21)14-16)19(22)15-8-4-3-5-9-15/h3-5,8-11,14,21H,1-2,6-7,12-13,20H2.
What are the key properties of [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone?
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 313.40 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 54336810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).