(2-formyl-3-hydroxyphenyl) carbamate

C8H7NO4 — CID 175040502

IUPAC(2-formyl-3-hydroxyphenyl) carbamate
SMILESNC(=O)Oc1cccc(O)c1C=O
InChIInChI=1S/C8H7NO4/c9-8(12)13-7-3-1-2-6(11)5(7)4-10/h1-4,11H,(H2,9,12)
InChIKeyUKSNFTXVCRTPMV-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.66
Rot. Bonds2

About (2-formyl-3-hydroxyphenyl) carbamate

(2-formyl-3-hydroxyphenyl) carbamate (PubChem CID 175040502) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is (2-formyl-3-hydroxyphenyl) carbamate.

Molecular Properties

Compound Name(2-formyl-3-hydroxyphenyl) carbamate
PubChem CID175040502
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name(2-formyl-3-hydroxyphenyl) carbamate
SMILESNC(=O)Oc1cccc(O)c1C=O
InChIInChI=1S/C8H7NO4/c9-8(12)13-7-3-1-2-6(11)5(7)4-10/h1-4,11H,(H2,9,12)
InChIKeyUKSNFTXVCRTPMV-UHFFFAOYSA-N
XLogP0.66
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
(2,3-difluorophenyl) carbamate
CID 154511519
ethyl (E)-4-(2-formyl-3-hydroxyphenoxy)but-2-enoate
CID 135012224
[2-(dimethylamino)phenyl] carbamate
CID 163610116
2-hexoxy-6-hydroxybenzaldehyde
CID 153494115
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
CID 19778876
2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
acetyl acetate;4-[(3-acetyloxy-2-formylphenoxy)methyl]benzoic acid;4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid
CID 167628612
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796
2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
CID 171417612
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578

Frequently Asked Questions

What is the IUPAC name of (2-formyl-3-hydroxyphenyl) carbamate?
The IUPAC name of (2-formyl-3-hydroxyphenyl) carbamate (CID 175040502) is (2-formyl-3-hydroxyphenyl) carbamate.
What is the SMILES notation for (2-formyl-3-hydroxyphenyl) carbamate?
The canonical SMILES for (2-formyl-3-hydroxyphenyl) carbamate is NC(=O)Oc1cccc(O)c1C=O.
What is the InChIKey of (2-formyl-3-hydroxyphenyl) carbamate?
The InChIKey is UKSNFTXVCRTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c9-8(12)13-7-3-1-2-6(11)5(7)4-10/h1-4,11H,(H2,9,12).
What are the key properties of (2-formyl-3-hydroxyphenyl) carbamate?
(2-formyl-3-hydroxyphenyl) carbamate has a molecular weight of 181.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3-hydroxyphenyl) carbamate is sourced from PubChem (CID 175040502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).