3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol

C18H19NO2 — CID 134816367

IUPAC3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCC(C)=CCc1c(O)c(CO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9,19-21H,8,10H2,1-2H3
InChIKeyQHTKGLNGSWTSJM-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.03
Rot. Bonds3

About 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol

3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol (PubChem CID 134816367) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
PubChem CID134816367
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCC(C)=CCc1c(O)c(CO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9,19-21H,8,10H2,1-2H3
InChIKeyQHTKGLNGSWTSJM-UHFFFAOYSA-N
XLogP4.03
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-dihydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
CID 15767846
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
CID 91493313
9H-carbazol-1-ylmethanol
CID 10987211
1-(2,3-dihydroxy-3-methylbutyl)-2-hydroxy-9H-carbazole-3-carbaldehyde
CID 162946327
3-chloro-4-(3-methylbut-2-enyl)naphthalene-1,2-diol
CID 71324698
1-(3-amino-9H-carbazol-1-yl)-2-methylpropan-2-ol;hydrochloride
CID 121268602
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
(2-methoxy-9H-carbazol-3-yl)methanol
CID 134816366
1,3,5-trihydroxy-4-(3-methylbut-2-enyl)-10H-acridin-9-one
CID 11953486
1-propyl-9H-carbazole-3-carbaldehyde
CID 174900118

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The IUPAC name of 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol (CID 134816367) is 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol is CC(C)=CCc1c(O)c(CO)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The InChIKey is QHTKGLNGSWTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9,19-21H,8,10H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol has a molecular weight of 281.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol is sourced from PubChem (CID 134816367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).