[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol

C16H13Cl2NO — CID 66399928

IUPAC[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C16H13Cl2NO/c17-13-5-6-15(18)11(7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9,20H,8,10H2
InChIKeyZFOXKACHUFCPDH-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.49
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol

[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol (PubChem CID 66399928) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
PubChem CID66399928
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C16H13Cl2NO/c17-13-5-6-15(18)11(7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9,20H,8,10H2
InChIKeyZFOXKACHUFCPDH-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
1-[2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylamino]ethylamino]propan-2-ol
CID 17159719
[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66398066
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690472
1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
2-(1-benzylindol-3-yl)ethanol
CID 13134935

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol (CID 66399928) is [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol is OCc1cn(Cc2cc(Cl)ccc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol?
The InChIKey is ZFOXKACHUFCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-5-6-15(18)11(7-13)8-19-9-12(10-20)14-3-1-2-4-16(14)19/h1-7,9,20H,8,10H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol?
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol has a molecular weight of 306.19 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 66399928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).