2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol

C25H35NO — CID 164577577

IUPAC2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
SMILESCCCCCCCCCC(CO)CCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C25H35NO/c1-2-3-4-5-6-7-8-12-20(19-27)17-18-21-13-11-15-23-22-14-9-10-16-24(22)26-25(21)23/h9-11,13-16,20,26-27H,2-8,12,17-19H2,1H3
InChIKeyLPBCBUMEKQDBIT-UHFFFAOYSA-N
MW365.56 g/mol
LogP7.00
Rot. Bonds12

About 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol

2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol (PubChem CID 164577577) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
PubChem CID164577577
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
SMILESCCCCCCCCCC(CO)CCc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C25H35NO/c1-2-3-4-5-6-7-8-12-20(19-27)17-18-21-13-11-15-23-22-14-9-10-16-24(22)26-25(21)23/h9-11,13-16,20,26-27H,2-8,12,17-19H2,1H3
InChIKeyLPBCBUMEKQDBIT-UHFFFAOYSA-N
XLogP7.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
9H-carbazol-1-ylmethanol
CID 10987211
1-heptadecan-9-yl-9H-carbazole
CID 132513625
1-undecan-2-yl-9H-carbazole
CID 173176720
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-pentyltridecan-1-ol
CID 19896300
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-nonylundecan-1-ol
CID 14397092
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol (CID 164577577) is 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol is CCCCCCCCCC(CO)CCc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol?
The InChIKey is LPBCBUMEKQDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-2-3-4-5-6-7-8-12-20(19-27)17-18-21-13-11-15-23-22-14-9-10-16-24(22)26-25(21)23/h9-11,13-16,20,26-27H,2-8,12,17-19H2,1H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol?
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol has a molecular weight of 365.56 g/mol, XLogP of 7.00, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol is sourced from PubChem (CID 164577577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).