2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol

C21H16ClNO — CID 172685191

IUPAC2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
SMILESOc1ccccc1C(c1ccccc1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H16ClNO/c22-15-10-11-16-18(13-23-19(16)12-15)21(14-6-2-1-3-7-14)17-8-4-5-9-20(17)24/h1-13,21,23-24H
InChIKeyAYCGCRWCCHSOHH-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.71
Rot. Bonds3

About 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol

2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol (PubChem CID 172685191) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
PubChem CID172685191
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
SMILESOc1ccccc1C(c1ccccc1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C21H16ClNO/c22-15-10-11-16-18(13-23-19(16)12-15)21(14-6-2-1-3-7-14)17-8-4-5-9-20(17)24/h1-13,21,23-24H
InChIKeyAYCGCRWCCHSOHH-UHFFFAOYSA-N
XLogP5.71
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
CID 171608072
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
diethyl 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]propanedioate
CID 102161933
(2R)-2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid
CID 29111306
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
CID 102231510
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
CID 88561394
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 123871770
1-(6-chloro-1H-indol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821278
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol?
The IUPAC name of 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol (CID 172685191) is 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol.
What is the SMILES notation for 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol?
The canonical SMILES for 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol is Oc1ccccc1C(c1ccccc1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol?
The InChIKey is AYCGCRWCCHSOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-15-10-11-16-18(13-23-19(16)12-15)21(14-6-2-1-3-7-14)17-8-4-5-9-20(17)24/h1-13,21,23-24H.
What are the key properties of 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol?
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol has a molecular weight of 333.82 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol is sourced from PubChem (CID 172685191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).