[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol

C17H16ClNO2 — CID 66398877

IUPAC[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3
InChIKeyNEVZYJIIIAHQNZ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.84
Rot. Bonds4

About [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol

[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol (PubChem CID 66398877) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
PubChem CID66398877
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1cc(CO)c2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3
InChIKeyNEVZYJIIIAHQNZ-UHFFFAOYSA-N
XLogP3.84
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147830
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
3-[1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 22123301

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol (CID 66398877) is [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol is COc1ccc(Cl)cc1Cn1cc(CO)c2ccccc21.
What is the InChIKey of [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol?
The InChIKey is NEVZYJIIIAHQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-17-7-6-14(18)8-12(17)9-19-10-13(11-20)15-4-2-3-5-16(15)19/h2-8,10,20H,9,11H2,1H3.
What are the key properties of [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol?
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol has a molecular weight of 301.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66398877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).