2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate

C17H19NO6 — CID 139597061

IUPAC2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate
SMILESO=C(NCCOc1ccc(Oc2ccc(O)cc2)cc1)OCCO
InChIInChI=1S/C17H19NO6/c19-10-12-23-17(21)18-9-11-22-14-5-7-16(8-6-14)24-15-3-1-13(20)2-4-15/h1-8,19-20H,9-12H2,(H,18,21)
InChIKeySGFADPVAFNZBOF-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.28
Rot. Bonds8

About 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate

2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate (PubChem CID 139597061) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate
PubChem CID139597061
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate
SMILESO=C(NCCOc1ccc(Oc2ccc(O)cc2)cc1)OCCO
InChIInChI=1S/C17H19NO6/c19-10-12-23-17(21)18-9-11-22-14-5-7-16(8-6-14)24-15-3-1-13(20)2-4-15/h1-8,19-20H,9-12H2,(H,18,21)
InChIKeySGFADPVAFNZBOF-UHFFFAOYSA-N
XLogP2.28
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 51605
CID 51605
CID 155774
CID 155774
CID 121877
CID 121877
CID 14552586
CID 14552586
CID 6604049
CID 6604049
CID 6604779
CID 6604779
CID 12681891
CID 12681891
CID 129829018
CID 129829018
CID 164451
CID 164451
CID 650874
CID 650874
CID 9890216
CID 9890216
CID 10684706
CID 10684706

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate (CID 139597061) is 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate is O=C(NCCOc1ccc(Oc2ccc(O)cc2)cc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate?
The InChIKey is SGFADPVAFNZBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c19-10-12-23-17(21)18-9-11-22-14-5-7-16(8-6-14)24-15-3-1-13(20)2-4-15/h1-8,19-20H,9-12H2,(H,18,21).
What are the key properties of 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate?
2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate has a molecular weight of 333.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]carbamate is sourced from PubChem (CID 139597061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).