1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol

C22H23NO4 — CID 71095161

IUPAC1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
SMILESCC(O)Oc1ccc(N(c2ccccc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C22H23NO4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h3-17,24-25H,1-2H3
InChIKeyRMDORWQTIPJKBS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.59
Rot. Bonds7

About 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol

1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol (PubChem CID 71095161) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
PubChem CID71095161
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
SMILESCC(O)Oc1ccc(N(c2ccccc2)c2ccc(OC(C)O)cc2)cc1
InChIInChI=1S/C22H23NO4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h3-17,24-25H,1-2H3
InChIKeyRMDORWQTIPJKBS-UHFFFAOYSA-N
XLogP4.59
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-phenylanilino)phenoxy]ethanol
CID 71095144
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
CID 71095103
1-phenoxyethanol
CID 66611531
1-[4-[4-[4-[4-(1-hydroxyethoxy)-N-(3-methylphenyl)anilino]phenyl]-N-(3-methylphenyl)anilino]phenoxy]ethanol
CID 71095176
1-phenoxyethanol;trihydrate
CID 175915128
chloroform;1-phenoxyethanol
CID 160851082
anisole;1-phenoxyethanol
CID 143208941
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
magnesium;1-phenoxyethanol;sulfate
CID 159781449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol?
The IUPAC name of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol (CID 71095161) is 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol.
What is the SMILES notation for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol?
The canonical SMILES for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol is CC(O)Oc1ccc(N(c2ccccc2)c2ccc(OC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol?
The InChIKey is RMDORWQTIPJKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h3-17,24-25H,1-2H3.
What are the key properties of 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol?
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol has a molecular weight of 365.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol is sourced from PubChem (CID 71095161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).