(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol

C18H18BrNO2 — CID 134836453

IUPAC(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol
SMILESCn1c2ccccc2c2c3c(ccc21)[C@H](O)[C@@H](Br)C(C)(C)O3
InChIInChI=1S/C18H18BrNO2/c1-18(2)17(19)15(21)11-8-9-13-14(16(11)22-18)10-6-4-5-7-12(10)20(13)3/h4-9,15,17,21H,1-3H3/t15-,17+/m0/s1
InChIKeyPZEOLWRRIACIFS-DOTOQJQBSA-N
MW360.25 g/mol
LogP4.30
Rot. Bonds

About (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol

(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol (PubChem CID 134836453) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol
PubChem CID134836453
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol
SMILESCn1c2ccccc2c2c3c(ccc21)[C@H](O)[C@@H](Br)C(C)(C)O3
InChIInChI=1S/C18H18BrNO2/c1-18(2)17(19)15(21)11-8-9-13-14(16(11)22-18)10-6-4-5-7-12(10)20(13)3/h4-9,15,17,21H,1-3H3/t15-,17+/m0/s1
InChIKeyPZEOLWRRIACIFS-DOTOQJQBSA-N
XLogP4.30
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
CID 71348739
4-(3-hydroxy-9-methylcarbazol-4-yl)-9-methylcarbazol-3-ol
CID 169016358
(3S)-3-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 57340431
ethane;bis(9-methylcarbazole)
CID 159710949
14-ethyl-9-methyl-9-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3,5,7,11,15,17,19,21-decaene
CID 142380806
7-(1-adamantyl)-14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 169027953
1,2-dihydroxy-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 21125486
(2S)-2,3,3,5-tetramethyl-2H-furo[3,2-c]quinolin-4-one
CID 162943757
4-(3-amino-9-methylcarbazol-4-yl)phenol
CID 174504133
9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one
CID 162907654
ethane;9-methylcarbazole;triphenylene
CID 142356751
3-hydroxy-9-methylcarbazole-4-carbaldehyde
CID 155346845

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol?
The IUPAC name of (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol (CID 134836453) is (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol.
What is the SMILES notation for (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol?
The canonical SMILES for (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol is Cn1c2ccccc2c2c3c(ccc21)[C@H](O)[C@@H](Br)C(C)(C)O3.
What is the InChIKey of (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol?
The InChIKey is PZEOLWRRIACIFS-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-18(2)17(19)15(21)11-8-9-13-14(16(11)22-18)10-6-4-5-7-12(10)20(13)3/h4-9,15,17,21H,1-3H3/t15-,17+/m0/s1.
What are the key properties of (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol?
(3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol has a molecular weight of 360.25 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-bromo-2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]carbazol-4-ol is sourced from PubChem (CID 134836453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).