(1-hept-6-enylindol-7-yl)methanol

C16H21NO — CID 107008139

IUPAC(1-hept-6-enylindol-7-yl)methanol
SMILESC=CCCCCCn1ccc2cccc(CO)c21
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-11-17-12-10-14-8-7-9-15(13-18)16(14)17/h2,7-10,12,18H,1,3-6,11,13H2
InChIKeyDTLNVMWRWBODPQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.88
Rot. Bonds7

About (1-hept-6-enylindol-7-yl)methanol

(1-hept-6-enylindol-7-yl)methanol (PubChem CID 107008139) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1-hept-6-enylindol-7-yl)methanol.

Molecular Properties

Compound Name(1-hept-6-enylindol-7-yl)methanol
PubChem CID107008139
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1-hept-6-enylindol-7-yl)methanol
SMILESC=CCCCCCn1ccc2cccc(CO)c21
InChIInChI=1S/C16H21NO/c1-2-3-4-5-6-11-17-12-10-14-8-7-9-15(13-18)16(14)17/h2,7-10,12,18H,1,3-6,11,13H2
InChIKeyDTLNVMWRWBODPQ-UHFFFAOYSA-N
XLogP3.88
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-pent-4-enylindol-7-yl)methanol
CID 102912127
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102912115
1-non-8-enylnaphthalene
CID 101304361

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enylindol-7-yl)methanol?
The IUPAC name of (1-hept-6-enylindol-7-yl)methanol (CID 107008139) is (1-hept-6-enylindol-7-yl)methanol.
What is the SMILES notation for (1-hept-6-enylindol-7-yl)methanol?
The canonical SMILES for (1-hept-6-enylindol-7-yl)methanol is C=CCCCCCn1ccc2cccc(CO)c21.
What is the InChIKey of (1-hept-6-enylindol-7-yl)methanol?
The InChIKey is DTLNVMWRWBODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-4-5-6-11-17-12-10-14-8-7-9-15(13-18)16(14)17/h2,7-10,12,18H,1,3-6,11,13H2.
What are the key properties of (1-hept-6-enylindol-7-yl)methanol?
(1-hept-6-enylindol-7-yl)methanol has a molecular weight of 243.35 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enylindol-7-yl)methanol is sourced from PubChem (CID 107008139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).