(9-heptyl-2-methylcarbazol-3-yl)methanol

C21H27NO — CID 16727954

IUPAC(9-heptyl-2-methylcarbazol-3-yl)methanol
SMILESCCCCCCCn1c2ccccc2c2cc(CO)c(C)cc21
InChIInChI=1S/C21H27NO/c1-3-4-5-6-9-12-22-20-11-8-7-10-18(20)19-14-17(15-23)16(2)13-21(19)22/h7-8,10-11,13-14,23H,3-6,9,12,15H2,1-2H3
InChIKeyLCHIMNPMOJCPTA-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.57
Rot. Bonds7

About (9-heptyl-2-methylcarbazol-3-yl)methanol

(9-heptyl-2-methylcarbazol-3-yl)methanol (PubChem CID 16727954) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (9-heptyl-2-methylcarbazol-3-yl)methanol.

Molecular Properties

Compound Name(9-heptyl-2-methylcarbazol-3-yl)methanol
PubChem CID16727954
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(9-heptyl-2-methylcarbazol-3-yl)methanol
SMILESCCCCCCCn1c2ccccc2c2cc(CO)c(C)cc21
InChIInChI=1S/C21H27NO/c1-3-4-5-6-9-12-22-20-11-8-7-10-18(20)19-14-17(15-23)16(2)13-21(19)22/h7-8,10-11,13-14,23H,3-6,9,12,15H2,1-2H3
InChIKeyLCHIMNPMOJCPTA-UHFFFAOYSA-N
XLogP5.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 17608739
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(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
[9-Benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
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(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanol
CID 145991252
1-[9-Methyl-6-[methyl-(2-methylquinolin-4-yl)amino]carbazol-3-yl]ethanol
CID 152213735
6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-
CID 355814
2-(1-Methyl-2-phenyl-3-indolyl)ethanol
CID 784721
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanol
CID 10014625
[1-[(3-Methylphenyl)methyl]indol-3-yl]methanol
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2-(1-Methylindol-3-yl)-3-phenylpropan-1-ol
CID 42628294

Frequently Asked Questions

What is the IUPAC name of (9-heptyl-2-methylcarbazol-3-yl)methanol?
The IUPAC name of (9-heptyl-2-methylcarbazol-3-yl)methanol (CID 16727954) is (9-heptyl-2-methylcarbazol-3-yl)methanol.
What is the SMILES notation for (9-heptyl-2-methylcarbazol-3-yl)methanol?
The canonical SMILES for (9-heptyl-2-methylcarbazol-3-yl)methanol is CCCCCCCn1c2ccccc2c2cc(CO)c(C)cc21.
What is the InChIKey of (9-heptyl-2-methylcarbazol-3-yl)methanol?
The InChIKey is LCHIMNPMOJCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-4-5-6-9-12-22-20-11-8-7-10-18(20)19-14-17(15-23)16(2)13-21(19)22/h7-8,10-11,13-14,23H,3-6,9,12,15H2,1-2H3.
What are the key properties of (9-heptyl-2-methylcarbazol-3-yl)methanol?
(9-heptyl-2-methylcarbazol-3-yl)methanol has a molecular weight of 309.45 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-heptyl-2-methylcarbazol-3-yl)methanol is sourced from PubChem (CID 16727954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).