(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol

C32H34N2O3 — CID 143174345

IUPAC(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol
SMILESCCn1c2ccc(C)cc2c2cc(CO)ccc21.CCn1c2ccc(CO)cc2c2cc(OC)ccc21
InChIInChI=1S/C16H17NO2.C16H17NO/c1-3-17-15-6-4-11(10-18)8-13(15)14-9-12(19-2)5-7-16(14)17;1-3-17-15-6-4-11(2)8-13(15)14-9-12(10-18)5-7-16(14)17/h4-9,18H,3,10H2,1-2H3;4-9,18H,3,10H2,1-2H3
InChIKeyIRPUPFRQHSIJHG-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.93
Rot. Bonds5

About (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol

(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol (PubChem CID 143174345) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol.

Molecular Properties

Compound Name(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol
PubChem CID143174345
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol
SMILESCCn1c2ccc(C)cc2c2cc(CO)ccc21.CCn1c2ccc(CO)cc2c2cc(OC)ccc21
InChIInChI=1S/C16H17NO2.C16H17NO/c1-3-17-15-6-4-11(10-18)8-13(15)14-9-12(19-2)5-7-16(14)17;1-3-17-15-6-4-11(2)8-13(15)14-9-12(10-18)5-7-16(14)17/h4-9,18H,3,10H2,1-2H3;4-9,18H,3,10H2,1-2H3
InChIKeyIRPUPFRQHSIJHG-UHFFFAOYSA-N
XLogP6.93
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol?
The IUPAC name of (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol (CID 143174345) is (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol.
What is the SMILES notation for (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol?
The canonical SMILES for (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol is CCn1c2ccc(C)cc2c2cc(CO)ccc21.CCn1c2ccc(CO)cc2c2cc(OC)ccc21.
What is the InChIKey of (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol?
The InChIKey is IRPUPFRQHSIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C16H17NO/c1-3-17-15-6-4-11(10-18)8-13(15)14-9-12(19-2)5-7-16(14)17;1-3-17-15-6-4-11(2)8-13(15)14-9-12(10-18)5-7-16(14)17/h4-9,18H,3,10H2,1-2H3;4-9,18H,3,10H2,1-2H3.
What are the key properties of (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol?
(9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol has a molecular weight of 494.64 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-6-methoxycarbazol-3-yl)methanol;(9-ethyl-6-methylcarbazol-3-yl)methanol is sourced from PubChem (CID 143174345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).