[1-[(4-methylphenyl)methyl]indol-6-yl]methanol

C17H17NO — CID 28886893

IUPAC[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
SMILESCc1ccc(Cn2ccc3ccc(CO)cc32)cc1
InChIInChI=1S/C17H17NO/c1-13-2-4-14(5-3-13)11-18-9-8-16-7-6-15(12-19)10-17(16)18/h2-10,19H,11-12H2,1H3
InChIKeyUQMLTUGPRAVYDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]indol-6-yl]methanol

[1-[(4-methylphenyl)methyl]indol-6-yl]methanol (PubChem CID 28886893) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]indol-6-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
PubChem CID28886893
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
SMILESCc1ccc(Cn2ccc3ccc(CO)cc32)cc1
InChIInChI=1S/C17H17NO/c1-13-2-4-14(5-3-13)11-18-9-8-16-7-6-15(12-19)10-17(16)18/h2-10,19H,11-12H2,1H3
InChIKeyUQMLTUGPRAVYDP-UHFFFAOYSA-N
XLogP3.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine
CID 170866724
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
CID 102913155
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
3-[[6-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102913186
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]indol-6-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]indol-6-yl]methanol (CID 28886893) is [1-[(4-methylphenyl)methyl]indol-6-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]indol-6-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]indol-6-yl]methanol is Cc1ccc(Cn2ccc3ccc(CO)cc32)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]indol-6-yl]methanol?
The InChIKey is UQMLTUGPRAVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-2-4-14(5-3-13)11-18-9-8-16-7-6-15(12-19)10-17(16)18/h2-10,19H,11-12H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]indol-6-yl]methanol?
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]indol-6-yl]methanol is sourced from PubChem (CID 28886893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).