[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol

C25H27NO2 — CID 141188540

IUPAC[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol
SMILESC#CCn1c(-c2ccc(OC)cc2CO)c(C2CCCCC2)c2ccccc21
InChIInChI=1S/C25H27NO2/c1-3-15-26-23-12-8-7-11-22(23)24(18-9-5-4-6-10-18)25(26)21-14-13-20(28-2)16-19(21)17-27/h1,7-8,11-14,16,18,27H,4-6,9-10,15,17H2,2H3
InChIKeyDWWUXLJCGFGVIX-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.49
Rot. Bonds5

About [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol

[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol (PubChem CID 141188540) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol
PubChem CID141188540
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol
SMILESC#CCn1c(-c2ccc(OC)cc2CO)c(C2CCCCC2)c2ccccc21
InChIInChI=1S/C25H27NO2/c1-3-15-26-23-12-8-7-11-22(23)24(18-9-5-4-6-10-18)25(26)21-14-13-20(28-2)16-19(21)17-27/h1,7-8,11-14,16,18,27H,4-6,9-10,15,17H2,2H3
InChIKeyDWWUXLJCGFGVIX-UHFFFAOYSA-N
XLogP5.49
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19-cyclohexyl-5-methoxy-9-methyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13,15,17-heptaen-10-one
CID 91614050
11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide
CID 126714436
13-cyclohexyl-3-methoxy-10-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
CID 143923203
methyl 1-(3-butoxy-3-oxoprop-1-en-2-yl)-3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]indole-6-carboxylate
CID 89337446
tert-butyl 2-[[3-cyclohexyl-2-(2-ethenylphenyl)indol-1-yl]methyl]prop-2-enoate
CID 141138355
2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol
CID 141127629
tert-butyl N-[2-[3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-6-methylindol-1-yl]ethyl]carbamate;bis(carbon dioxide);[2-[3-cyclohexyl-6-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indol-2-yl]phenyl]methyl methanesulfonate
CID 157255238
2-[2-(1-acetylpyrrolidin-3-yl)-4-methoxyphenyl]-3-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]indole-6-carboxamide
CID 143870056
3-cyclohexyl-1-ethyl-2-(2-methanidylphenyl)indole-6-carboxylic acid;ethane;yttrium
CID 161282807
13-cyclohexyl-3-methoxy-6-(2-sulfanylphenyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 143764494
2-[3-cyclohexyl-2-[2-(3-methoxyphenyl)quinolin-6-yl]indol-1-yl]-1-morpholin-4-ylethanone
CID 141146520
13-cyclohexyl-6-[2-(cyclopropanecarbonylamino)phenyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 25190007

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol?
The IUPAC name of [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol (CID 141188540) is [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol?
The canonical SMILES for [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol is C#CCn1c(-c2ccc(OC)cc2CO)c(C2CCCCC2)c2ccccc21.
What is the InChIKey of [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol?
The InChIKey is DWWUXLJCGFGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-3-15-26-23-12-8-7-11-22(23)24(18-9-5-4-6-10-18)25(26)21-14-13-20(28-2)16-19(21)17-27/h1,7-8,11-14,16,18,27H,4-6,9-10,15,17H2,2H3.
What are the key properties of [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol?
[2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol has a molecular weight of 373.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclohexyl-1-prop-2-ynylindol-2-yl)-5-methoxyphenyl]methanol is sourced from PubChem (CID 141188540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).