[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol

C14H15NO3 — CID 23877083

IUPAC[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol
SMILESCOCc1ccc(/C=N/c2cccc(CO)c2)o1
InChIInChI=1S/C14H15NO3/c1-17-10-14-6-5-13(18-14)8-15-12-4-2-3-11(7-12)9-16/h2-8,16H,9-10H2,1H3/b15-8+
InChIKeyHFZCZQMVBFMWQO-OVCLIPMQSA-N
MW245.28 g/mol
LogP2.67
Rot. Bonds5

About [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol

[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol (PubChem CID 23877083) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol
PubChem CID23877083
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol
SMILESCOCc1ccc(/C=N/c2cccc(CO)c2)o1
InChIInChI=1S/C14H15NO3/c1-17-10-14-6-5-13(18-14)8-15-12-4-2-3-11(7-12)9-16/h2-8,16H,9-10H2,1H3/b15-8+
InChIKeyHFZCZQMVBFMWQO-OVCLIPMQSA-N
XLogP2.67
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 130370019
1-[5-(methoxymethyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)methanimine
CID 23828306
[3-(naphthalen-2-ylmethylideneamino)phenyl]methanol
CID 786243
[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
CID 793154
[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanol
CID 79868965
[5-(benzyliminomethyl)furan-2-yl]methanol
CID 15254879
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[5-(methoxymethyl)furan-2-yl]methanimine
CID 23828703
ethyl 2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23735664
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
(E)-3-[5-(methoxymethyl)furan-2-yl]prop-2-enenitrile
CID 131243022
2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-8-sulfanylidene-7,9-dihydro-1H-purin-6-one
CID 135609097

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol?
The IUPAC name of [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol (CID 23877083) is [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol.
What is the SMILES notation for [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol?
The canonical SMILES for [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol is COCc1ccc(/C=N/c2cccc(CO)c2)o1.
What is the InChIKey of [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol?
The InChIKey is HFZCZQMVBFMWQO-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-10-14-6-5-13(18-14)8-15-12-4-2-3-11(7-12)9-16/h2-8,16H,9-10H2,1H3/b15-8+.
What are the key properties of [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol?
[3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol has a molecular weight of 245.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(methoxymethyl)furan-2-yl]methylideneamino]phenyl]methanol is sourced from PubChem (CID 23877083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).