(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol

C17H17NO3 — CID 86172085

IUPAC(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
SMILESCOc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1CO
InChIInChI=1S/C17H17NO3/c1-20-14-8-15(21-2)16-12(11-6-4-3-5-7-11)9-18-17(16)13(14)10-19/h3-9,18-19H,10H2,1-2H3
InChIKeyPBISZTHKCNUZHZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds4

About (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol

(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol (PubChem CID 86172085) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
PubChem CID86172085
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
SMILESCOc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1CO
InChIInChI=1S/C17H17NO3/c1-20-14-8-15(21-2)16-12(11-6-4-3-5-7-11)9-18-17(16)13(14)10-19/h3-9,18-19H,10H2,1-2H3
InChIKeyPBISZTHKCNUZHZ-UHFFFAOYSA-N
XLogP3.34
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone
CID 11822552
2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine
CID 132543010
1-[(E)-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methylideneamino]-3-ethylthiourea
CID 163196201
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
CID 118727783
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
[2-[3-(hydroxymethyl)-4-methoxy-2-methyl-6-phenylphenyl]phenyl]methanol
CID 141218229
[3-(methoxymethyl)-4-phenyl-1H-pyrrol-2-yl]methanol
CID 66915096
[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-2-[[3-(4-bromophenyl)-7-(hydroxymethyl)-4,6-dimethoxy-1H-indol-2-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methyl]-4,6-dimethoxy-1H-indol-7-yl]methanol
CID 71560463
(5-methoxy-4-phenyl-2-pyridinyl)methanol
CID 131570308
4-(4,6-dimethoxy-1H-indol-3-yl)phenol
CID 11391542
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol?
The IUPAC name of (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol (CID 86172085) is (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol.
What is the SMILES notation for (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol?
The canonical SMILES for (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol is COc1cc(OC)c2c(-c3ccccc3)c[nH]c2c1CO.
What is the InChIKey of (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol?
The InChIKey is PBISZTHKCNUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-8-15(21-2)16-12(11-6-4-3-5-7-11)9-18-17(16)13(14)10-19/h3-9,18-19H,10H2,1-2H3.
What are the key properties of (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol?
(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol has a molecular weight of 283.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol is sourced from PubChem (CID 86172085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).