3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol

C18H18ClNO2 — CID 117180731

IUPAC3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
SMILESCC(C)n1c(COc2cccc(O)c2)cc2ccc(Cl)cc21
InChIInChI=1S/C18H18ClNO2/c1-12(2)20-15(8-13-6-7-14(19)9-18(13)20)11-22-17-5-3-4-16(21)10-17/h3-10,12,21H,11H2,1-2H3
InChIKeyMDDPVDJZMSPCQG-UHFFFAOYSA-N
MW315.80 g/mol
LogP5.16
Rot. Bonds4

About 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol

3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol (PubChem CID 117180731) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
PubChem CID117180731
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
SMILESCC(C)n1c(COc2cccc(O)c2)cc2ccc(Cl)cc21
InChIInChI=1S/C18H18ClNO2/c1-12(2)20-15(8-13-6-7-14(19)9-18(13)20)11-22-17-5-3-4-16(21)10-17/h3-10,12,21H,11H2,1-2H3
InChIKeyMDDPVDJZMSPCQG-UHFFFAOYSA-N
XLogP5.16
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.80
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117180665
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699
2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180675
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
5-[(3-hydroxyphenoxy)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193242
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol?
The IUPAC name of 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol (CID 117180731) is 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol?
The canonical SMILES for 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol is CC(C)n1c(COc2cccc(O)c2)cc2ccc(Cl)cc21.
What is the InChIKey of 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol?
The InChIKey is MDDPVDJZMSPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12(2)20-15(8-13-6-7-14(19)9-18(13)20)11-22-17-5-3-4-16(21)10-17/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol?
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol has a molecular weight of 315.80 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117180731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).