4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol

C16H14ClNO — CID 144760738

IUPAC4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol
SMILESOc1ccc(-c2cc3c(cc2Cl)NC2(CC2)C3)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-15-11(9-16(18-15)5-6-16)7-13(14)10-1-3-12(19)4-2-10/h1-4,7-8,18-19H,5-6,9H2
InChIKeyMWODAYXNNUOFKB-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.21
Rot. Bonds1

About 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol

4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol (PubChem CID 144760738) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol.

Molecular Properties

Compound Name4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol
PubChem CID144760738
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol
SMILESOc1ccc(-c2cc3c(cc2Cl)NC2(CC2)C3)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-15-11(9-16(18-15)5-6-16)7-13(14)10-1-3-12(19)4-2-10/h1-4,7-8,18-19H,5-6,9H2
InChIKeyMWODAYXNNUOFKB-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol?
The IUPAC name of 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol (CID 144760738) is 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol.
What is the SMILES notation for 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol?
The canonical SMILES for 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol is Oc1ccc(-c2cc3c(cc2Cl)NC2(CC2)C3)cc1.
What is the InChIKey of 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol?
The InChIKey is MWODAYXNNUOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-8-15-11(9-16(18-15)5-6-16)7-13(14)10-1-3-12(19)4-2-10/h1-4,7-8,18-19H,5-6,9H2.
What are the key properties of 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol?
4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol has a molecular weight of 271.75 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorospiro[1,3-dihydroindole-2,1'-cyclopropane]-5-yl)phenol is sourced from PubChem (CID 144760738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).