[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol

C18H19NO2 — CID 102913068

IUPAC[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
SMILESCOc1ccc(CCn2ccc3ccc(CO)cc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-6-3-14(4-7-17)8-10-19-11-9-16-5-2-15(13-20)12-18(16)19/h2-7,9,11-12,20H,8,10,13H2,1H3
InChIKeyZFXQKDAPYPYMKI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds5

About [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol

[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol (PubChem CID 102913068) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
PubChem CID102913068
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
SMILESCOc1ccc(CCn2ccc3ccc(CO)cc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-6-3-14(4-7-17)8-10-19-11-9-16-5-2-15(13-20)12-18(16)19/h2-7,9,11-12,20H,8,10,13H2,1H3
InChIKeyZFXQKDAPYPYMKI-UHFFFAOYSA-N
XLogP3.38
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
6-(4-methoxyphenyl)-1-propylindole
CID 91452134
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-[6-[1-(4-methoxyphenyl)ethoxy]indol-1-yl]ethanol
CID 175599044
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
(4-methoxyphenyl)methanol
CID 7738
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol (CID 102913068) is [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol is COc1ccc(CCn2ccc3ccc(CO)cc32)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol?
The InChIKey is ZFXQKDAPYPYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-6-3-14(4-7-17)8-10-19-11-9-16-5-2-15(13-20)12-18(16)19/h2-7,9,11-12,20H,8,10,13H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol?
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol is sourced from PubChem (CID 102913068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).