(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol

C19H16N2O2 — CID 53321045

IUPAC(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESCOc1ccc(C(O)c2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)19(22)18-17-15(10-11-20-18)14-4-2-3-5-16(14)21-17/h2-11,19,21-22H,1H3
InChIKeyRPDDNJZUPXCRTA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.81
Rot. Bonds3

About (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol

(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol (PubChem CID 53321045) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
PubChem CID53321045
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
SMILESCOc1ccc(C(O)c2nccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)19(22)18-17-15(10-11-20-18)14-4-2-3-5-16(14)21-17/h2-11,19,21-22H,1H3
InChIKeyRPDDNJZUPXCRTA-UHFFFAOYSA-N
XLogP3.81
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
CID 5358763
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
(S)-(4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanol
CID 162657764
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
(E)-1-(4-methoxyphenyl)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681564
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
methyl 2,3-diacetyloxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoate
CID 135060684
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(2S)-2-methoxy-1-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-4-(9H-pyrido[3,4-b]indol-1-yl)butane-1,4-dione
CID 171345741
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
CID 151654527

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol (CID 53321045) is (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol is COc1ccc(C(O)c2nccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
The InChIKey is RPDDNJZUPXCRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)19(22)18-17-15(10-11-20-18)14-4-2-3-5-16(14)21-17/h2-11,19,21-22H,1H3.
What are the key properties of (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol?
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol has a molecular weight of 304.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol is sourced from PubChem (CID 53321045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).