(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone

C23H27NO2 — CID 19982331

IUPAC(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone
SMILESCCCCn1c2ccccc2c2cc(C(=O)C3(O)CCCCC3)ccc21
InChIInChI=1S/C23H27NO2/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23(26)13-7-4-8-14-23/h5-6,9-12,16,26H,2-4,7-8,13-15H2,1H3
InChIKeyAYUOUDHAWNXMIS-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.47
Rot. Bonds5

About (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone

(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone (PubChem CID 19982331) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone
PubChem CID19982331
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone
SMILESCCCCn1c2ccccc2c2cc(C(=O)C3(O)CCCCC3)ccc21
InChIInChI=1S/C23H27NO2/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23(26)13-7-4-8-14-23/h5-6,9-12,16,26H,2-4,7-8,13-15H2,1H3
InChIKeyAYUOUDHAWNXMIS-UHFFFAOYSA-N
XLogP5.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
9-butylcarbazol-3-ol
CID 140908966
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
9-propylcarbazole-3-carbonyl iodide
CID 88957757
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one
CID 90682883
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
(E)-3-(4-acetylphenyl)-1-(9-butylcarbazol-3-yl)prop-2-en-1-one
CID 102199280
9-butyl-3-methoxycarbazole
CID 132503458

Frequently Asked Questions

What is the IUPAC name of (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone?
The IUPAC name of (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone (CID 19982331) is (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone is CCCCn1c2ccccc2c2cc(C(=O)C3(O)CCCCC3)ccc21.
What is the InChIKey of (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone?
The InChIKey is AYUOUDHAWNXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23(26)13-7-4-8-14-23/h5-6,9-12,16,26H,2-4,7-8,13-15H2,1H3.
What are the key properties of (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone?
(9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-butylcarbazol-3-yl)-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 19982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).