2-[3-(hydroxymethyl)phenoxy]ethyl carbamate

C10H13NO4 — CID 175060883

IUPAC2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1cccc(CO)c1
InChIInChI=1S/C10H13NO4/c11-10(13)15-5-4-14-9-3-1-2-8(6-9)7-12/h1-3,6,12H,4-5,7H2,(H2,11,13)
InChIKeyBALVNSVFNOXZJS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.65
Rot. Bonds5

About 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate

2-[3-(hydroxymethyl)phenoxy]ethyl carbamate (PubChem CID 175060883) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
PubChem CID175060883
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1cccc(CO)c1
InChIInChI=1S/C10H13NO4/c11-10(13)15-5-4-14-9-3-1-2-8(6-9)7-12/h1-3,6,12H,4-5,7H2,(H2,11,13)
InChIKeyBALVNSVFNOXZJS-UHFFFAOYSA-N
XLogP0.65
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.65
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-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
4-(3-ethylphenoxy)butanamide
CID 82040637
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate (CID 175060883) is 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate is NC(=O)OCCOc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate?
The InChIKey is BALVNSVFNOXZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-10(13)15-5-4-14-9-3-1-2-8(6-9)7-12/h1-3,6,12H,4-5,7H2,(H2,11,13).
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate?
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]ethyl carbamate is sourced from PubChem (CID 175060883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).