2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde

C10H11NO3 — CID 174755840

IUPAC2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2cccc(O)c2)NCCO1
InChIInChI=1S/C10H11NO3/c12-7-10(11-4-5-14-10)8-2-1-3-9(13)6-8/h1-3,6-7,11,13H,4-5H2
InChIKeyBHSAOHPICQIJKP-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.36
Rot. Bonds2

About 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde

2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174755840) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174755840
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1(c2cccc(O)c2)NCCO1
InChIInChI=1S/C10H11NO3/c12-7-10(11-4-5-14-10)8-2-1-3-9(13)6-8/h1-3,6-7,11,13H,4-5H2
InChIKeyBHSAOHPICQIJKP-UHFFFAOYSA-N
XLogP0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.36
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-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde
CID 174432065
3-(2-methylmorpholin-2-yl)phenol
CID 175042314
2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
CID 117258805
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
3-[3-(hydroxymethyl)-1,4-oxazepan-3-yl]phenol
CID 105480408
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(2,5-dimethyl-1,3-oxazinan-2-yl)phenol
CID 117227041
3-(2-propylazetidin-2-yl)phenol
CID 115058562
3-(1-aminocyclopropyl)phenol
CID 55296554
3-[4-(methylsulfanylmethyl)oxan-4-yl]phenol
CID 115042718
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde (CID 174755840) is 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1(c2cccc(O)c2)NCCO1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is BHSAOHPICQIJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-10(11-4-5-14-10)8-2-1-3-9(13)6-8/h1-3,6-7,11,13H,4-5H2.
What are the key properties of 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde?
2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 193.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174755840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).