(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

C16H15Cl2NO — CID 63900549

IUPAC(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H15Cl2NO/c1-19-7-6-10-8-11(2-5-15(10)19)16(20)13-9-12(17)3-4-14(13)18/h2-5,8-9,16,20H,6-7H2,1H3
InChIKeyLCKSXACLQUJXOH-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.07
Rot. Bonds2

About (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 63900549) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID63900549
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)c3cc(Cl)ccc3Cl)ccc21
InChIInChI=1S/C16H15Cl2NO/c1-19-7-6-10-8-11(2-5-15(10)19)16(20)13-9-12(17)3-4-14(13)18/h2-5,8-9,16,20H,6-7H2,1H3
InChIKeyLCKSXACLQUJXOH-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

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CID 118349184
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CID 108293732
[2-Chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]methanol
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[2-Chloro-4-[(3-chlorophenyl)methyl-ethylamino]phenyl]methanol
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[2-Chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol
CID 155808510
[2-Chloro-4-[(2-chlorophenyl)methyl-ethylamino]phenyl]methanol
CID 155809849
5-[(5-chloro-2-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086669
5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087221
5-[(2-chloro-4-fluorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61088916
1-[4-[(3-Chlorophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61417310
1-[4-[(2-Chlorophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61417342

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 63900549) is (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is CN1CCc2cc(C(O)c3cc(Cl)ccc3Cl)ccc21.
What is the InChIKey of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is LCKSXACLQUJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-19-7-6-10-8-11(2-5-15(10)19)16(20)13-9-12(17)3-4-14(13)18/h2-5,8-9,16,20H,6-7H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 308.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 63900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).