7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole

C19H20ClNO — CID 117182438

IUPAC7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
SMILESCc1cccc(OCc2cn(C(C)C)c3c(Cl)cccc23)c1
InChIInChI=1S/C19H20ClNO/c1-13(2)21-11-15(17-8-5-9-18(20)19(17)21)12-22-16-7-4-6-14(3)10-16/h4-11,13H,12H2,1-3H3
InChIKeyASMWBPLMFNVBCL-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.76
Rot. Bonds4

About 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole

7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole (PubChem CID 117182438) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
PubChem CID117182438
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
SMILESCc1cccc(OCc2cn(C(C)C)c3c(Cl)cccc23)c1
InChIInChI=1S/C19H20ClNO/c1-13(2)21-11-15(17-8-5-9-18(20)19(17)21)12-22-16-7-4-6-14(3)10-16/h4-11,13H,12H2,1-3H3
InChIKeyASMWBPLMFNVBCL-UHFFFAOYSA-N
XLogP5.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
8-chloro-1-[2-(3-methylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803591
3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
CID 117184652
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole (CID 117182438) is 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole is Cc1cccc(OCc2cn(C(C)C)c3c(Cl)cccc23)c1.
What is the InChIKey of 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is ASMWBPLMFNVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)21-11-15(17-8-5-9-18(20)19(17)21)12-22-16-7-4-6-14(3)10-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole?
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 313.83 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117182438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).