1H-indol-5-yl-(3-methoxyphenyl)methanol

C16H15NO2 — CID 81444817

IUPAC1H-indol-5-yl-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15NO2/c1-19-14-4-2-3-12(10-14)16(18)13-5-6-15-11(9-13)7-8-17-15/h2-10,16-18H,1H3
InChIKeyZEGXQJPQUUWRPT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.26
Rot. Bonds3

About 1H-indol-5-yl-(3-methoxyphenyl)methanol

1H-indol-5-yl-(3-methoxyphenyl)methanol (PubChem CID 81444817) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1H-indol-5-yl-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name1H-indol-5-yl-(3-methoxyphenyl)methanol
PubChem CID81444817
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1H-indol-5-yl-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H15NO2/c1-19-14-4-2-3-12(10-14)16(18)13-5-6-15-11(9-13)7-8-17-15/h2-10,16-18H,1H3
InChIKeyZEGXQJPQUUWRPT-UHFFFAOYSA-N
XLogP3.26
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-5-yl(phenyl)methanol
CID 19042833
(3-fluoro-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444916
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
(3-cyclopropylphenyl)-(1H-indol-5-yl)methanol
CID 81437598
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-(3-methoxyphenyl)methanol?
The IUPAC name of 1H-indol-5-yl-(3-methoxyphenyl)methanol (CID 81444817) is 1H-indol-5-yl-(3-methoxyphenyl)methanol.
What is the SMILES notation for 1H-indol-5-yl-(3-methoxyphenyl)methanol?
The canonical SMILES for 1H-indol-5-yl-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 1H-indol-5-yl-(3-methoxyphenyl)methanol?
The InChIKey is ZEGXQJPQUUWRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-14-4-2-3-12(10-14)16(18)13-5-6-15-11(9-13)7-8-17-15/h2-10,16-18H,1H3.
What are the key properties of 1H-indol-5-yl-(3-methoxyphenyl)methanol?
1H-indol-5-yl-(3-methoxyphenyl)methanol has a molecular weight of 253.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-(3-methoxyphenyl)methanol is sourced from PubChem (CID 81444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).