1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol

C22H27NO3 — CID 11667520

IUPAC1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
SMILESCOc1c(C)c(C[C@@H](C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O
InChIInChI=1S/C22H27NO3/c1-12(2)6-7-15-8-9-18-17(11-15)19-20(23-18)16(10-13(3)24)14(4)22(26-5)21(19)25/h6,8-9,11,13,23-25H,7,10H2,1-5H3/t13-/m1/s1
InChIKeySDXRDEAECLPZHL-CYBMUJFWSA-N
MW353.46 g/mol
LogP4.78
Rot. Bonds5

About 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol

1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol (PubChem CID 11667520) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
PubChem CID11667520
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol
SMILESCOc1c(C)c(C[C@@H](C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O
InChIInChI=1S/C22H27NO3/c1-12(2)6-7-15-8-9-18-17(11-15)19-20(23-18)16(10-13(3)24)14(4)22(26-5)21(19)25/h6,8-9,11,13,23-25H,7,10H2,1-5H3/t13-/m1/s1
InChIKeySDXRDEAECLPZHL-CYBMUJFWSA-N
XLogP4.78
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol (CID 11667520) is 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol is COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol?
The InChIKey is SDXRDEAECLPZHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H27NO3/c1-12(2)6-7-15-8-9-18-17(11-15)19-20(23-18)16(10-13(3)24)14(4)22(26-5)21(19)25/h6,8-9,11,13,23-25H,7,10H2,1-5H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol?
1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol has a molecular weight of 353.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-4-ol is sourced from PubChem (CID 11667520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).