3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol

C10H13NO3 — CID 174360499

IUPAC3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C=NO)CO)cc1
InChIInChI=1S/C10H13NO3/c1-14-10-4-2-8(3-5-10)9(7-12)6-11-13/h2-6,9,12-13H,7H2,1H3
InChIKeyFVCRMOSIPZHHIJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.23
Rot. Bonds4

About 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol

3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 174360499) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol
PubChem CID174360499
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C=NO)CO)cc1
InChIInChI=1S/C10H13NO3/c1-14-10-4-2-8(3-5-10)9(7-12)6-11-13/h2-6,9,12-13H,7H2,1H3
InChIKeyFVCRMOSIPZHHIJ-UHFFFAOYSA-N
XLogP1.23
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 53474824
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 24774769
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol (CID 174360499) is 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(C=NO)CO)cc1.
What is the InChIKey of 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is FVCRMOSIPZHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10-4-2-8(3-5-10)9(7-12)6-11-13/h2-6,9,12-13H,7H2,1H3.
What are the key properties of 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol?
3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 195.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 174360499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).