8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol

C24H29NO2 — CID 72744161

IUPAC8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol
SMILESCOc1ccc2c([nH]c3cc(O)c(C)cc32)c1CC=C(C)CCC=C(C)C
InChIInChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-23(27-5)12-11-18-20-13-17(4)22(26)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3
InChIKeyOFHARTBNOLXMFZ-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.58
Rot. Bonds6

About 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol

8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol (PubChem CID 72744161) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol.

Molecular Properties

Compound Name8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol
PubChem CID72744161
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol
SMILESCOc1ccc2c([nH]c3cc(O)c(C)cc32)c1CC=C(C)CCC=C(C)C
InChIInChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-23(27-5)12-11-18-20-13-17(4)22(26)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3
InChIKeyOFHARTBNOLXMFZ-UHFFFAOYSA-N
XLogP6.58
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-3-methyl-9H-carbazol-2-ol
CID 15060943
6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
CID 11208660
3-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-4-methoxybenzaldehyde
CID 78138070
1-[2-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-1-yl]-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol
CID 102458128
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethyl-1,3-dimethoxybenzene
CID 167459397
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl]-6-methoxy-3-methyl-9H-carbazol-1-ol
CID 101109692
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
5-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-3-methoxy-6-methylbenzene-1,2,4-triol
CID 25203764
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,4-diol
CID 10992743
2-[(2Z,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 175646711
2-[(2E,6E,10E,14E,18Z,22Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 66563646

Frequently Asked Questions

What is the IUPAC name of 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol?
The IUPAC name of 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol (CID 72744161) is 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol.
What is the SMILES notation for 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol?
The canonical SMILES for 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol is COc1ccc2c([nH]c3cc(O)c(C)cc32)c1CC=C(C)CCC=C(C)C.
What is the InChIKey of 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol?
The InChIKey is OFHARTBNOLXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-23(27-5)12-11-18-20-13-17(4)22(26)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3.
What are the key properties of 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol?
8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol has a molecular weight of 363.50 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,7-dimethylocta-2,6-dienyl)-7-methoxy-3-methyl-9H-carbazol-2-ol is sourced from PubChem (CID 72744161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).