1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol

C19H16N2O3 — CID 56649389

IUPAC1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol
SMILESCOc1cc2c([nH]c3ccc(O)cc32)c(Cc2ccc(O)cc2)n1
InChIInChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3
InChIKeyJKRLKWREOILLPH-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.73
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol

1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol (PubChem CID 56649389) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol
PubChem CID56649389
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol
SMILESCOc1cc2c([nH]c3ccc(O)cc32)c(Cc2ccc(O)cc2)n1
InChIInChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3
InChIKeyJKRLKWREOILLPH-UHFFFAOYSA-N
XLogP3.73
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5280953
CID 5280953
CID 6433099
CID 6433099
CID 4640
CID 4640
CID 5359389
CID 5359389
CID 71028
CID 71028
CID 417052
CID 417052
CID 1868
CID 1868
CID 97487
CID 97487
CID 375148
CID 375148
CID 375151
CID 375151
CID 49756
CID 49756
CID 231244
CID 231244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol (CID 56649389) is 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol is COc1cc2c([nH]c3ccc(O)cc32)c(Cc2ccc(O)cc2)n1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol?
The InChIKey is JKRLKWREOILLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3.
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol?
1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol has a molecular weight of 320.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 56649389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).