5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde

C17H15NO3 — CID 57257741

IUPAC5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde
SMILESCOn1c(C=O)cc2cc(C(O)c3ccccc3)ccc21
InChIInChI=1S/C17H15NO3/c1-21-18-15(11-19)10-14-9-13(7-8-16(14)18)17(20)12-5-3-2-4-6-12/h2-11,17,20H,1H3
InChIKeyHWXRNCXNFYLSID-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.59
Rot. Bonds4

About 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde

5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde (PubChem CID 57257741) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde.

Molecular Properties

Compound Name5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde
PubChem CID57257741
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde
SMILESCOn1c(C=O)cc2cc(C(O)c3ccccc3)ccc21
InChIInChI=1S/C17H15NO3/c1-21-18-15(11-19)10-14-9-13(7-8-16(14)18)17(20)12-5-3-2-4-6-12/h2-11,17,20H,1H3
InChIKeyHWXRNCXNFYLSID-UHFFFAOYSA-N
XLogP2.59
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
anthracen-2-yl(phenyl)methanol
CID 15685338
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050
(4-methoxynaphthalen-2-yl)-phenylmethanol
CID 72942487
methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate
CID 142993000
1H-indol-5-yl(phenyl)methanol
CID 19042833
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde?
The IUPAC name of 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde (CID 57257741) is 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde.
What is the SMILES notation for 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde?
The canonical SMILES for 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde is COn1c(C=O)cc2cc(C(O)c3ccccc3)ccc21.
What is the InChIKey of 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde?
The InChIKey is HWXRNCXNFYLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-18-15(11-19)10-14-9-13(7-8-16(14)18)17(20)12-5-3-2-4-6-12/h2-11,17,20H,1H3.
What are the key properties of 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde?
5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(phenyl)methyl]-1-methoxyindole-2-carbaldehyde is sourced from PubChem (CID 57257741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).