4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol

C17H18ClNO2 — CID 104667249

IUPAC4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
SMILESCOc1cc(Cl)cc(CN2c3ccccc3CC2C)c1O
InChIInChI=1S/C17H18ClNO2/c1-11-7-12-5-3-4-6-15(12)19(11)10-13-8-14(18)9-16(21-2)17(13)20/h3-6,8-9,11,20H,7,10H2,1-2H3
InChIKeyIDFJPSDLAMHOQD-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.01
Rot. Bonds3

About 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol

4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol (PubChem CID 104667249) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
PubChem CID104667249
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol
SMILESCOc1cc(Cl)cc(CN2c3ccccc3CC2C)c1O
InChIInChI=1S/C17H18ClNO2/c1-11-7-12-5-3-4-6-15(12)19(11)10-13-8-14(18)9-16(21-2)17(13)20/h3-6,8-9,11,20H,7,10H2,1-2H3
InChIKeyIDFJPSDLAMHOQD-UHFFFAOYSA-N
XLogP4.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3302526
N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940760
(2S)-1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-methyl-2,3-dihydroindole
CID 34598561
4-chloro-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82974304
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9136491
4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol (CID 104667249) is 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol is COc1cc(Cl)cc(CN2c3ccccc3CC2C)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol?
The InChIKey is IDFJPSDLAMHOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-7-12-5-3-4-6-15(12)19(11)10-13-8-14(18)9-16(21-2)17(13)20/h3-6,8-9,11,20H,7,10H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol?
4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol has a molecular weight of 303.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenol is sourced from PubChem (CID 104667249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).