[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate

C19H17NO3 — CID 174717725

IUPAC[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate
SMILESO=COc1c[nH]c2ccc(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C19H17NO3/c21-11-19(7-8-19)15-4-1-13(2-5-15)14-3-6-17-16(9-14)18(10-20-17)23-12-22/h1-6,9-10,12,20-21H,7-8,11H2
InChIKeyKKKKSFMPMVPQLE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.39
Rot. Bonds5

About [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate

[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate (PubChem CID 174717725) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate.

Molecular Properties

Compound Name[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate
PubChem CID174717725
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate
SMILESO=COc1c[nH]c2ccc(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C19H17NO3/c21-11-19(7-8-19)15-4-1-13(2-5-15)14-3-6-17-16(9-14)18(10-20-17)23-12-22/h1-6,9-10,12,20-21H,7-8,11H2
InChIKeyKKKKSFMPMVPQLE-UHFFFAOYSA-N
XLogP3.39
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carbaldehyde
CID 141367620
2-acetamido-3-[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]propanoic acid
CID 167891871
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
[5-(benzenesulfonyl)-1H-indol-3-yl] formate
CID 174464027
6-cyano-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid;3-formyl-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-6-carbonitrile
CID 157302924
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111196
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457

Frequently Asked Questions

What is the IUPAC name of [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate?
The IUPAC name of [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate (CID 174717725) is [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate.
What is the SMILES notation for [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate?
The canonical SMILES for [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate is O=COc1c[nH]c2ccc(-c3ccc(C4(CO)CC4)cc3)cc12.
What is the InChIKey of [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate?
The InChIKey is KKKKSFMPMVPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-11-19(7-8-19)15-4-1-13(2-5-15)14-3-6-17-16(9-14)18(10-20-17)23-12-22/h1-6,9-10,12,20-21H,7-8,11H2.
What are the key properties of [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate?
[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate has a molecular weight of 307.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl] formate is sourced from PubChem (CID 174717725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).