ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol

C23H32FNO2 — CID 144898004

IUPACethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC.CC(C)(C)Oc1cc(CCCN2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C21H26FNO2.C2H6/c1-21(2,3)25-20-12-15(9-10-19(20)24)6-5-11-23-13-16-7-4-8-18(22)17(16)14-23;1-2/h4,7-10,12,24H,5-6,11,13-14H2,1-3H3;1-2H3
InChIKeyWYRQFUVEVNTFRK-UHFFFAOYSA-N
MW373.51 g/mol
LogP5.68
Rot. Bonds5

About ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol

ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 144898004) has the molecular formula C23H32FNO2 and a molecular weight of 373.51 g/mol. Its IUPAC name is ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Nameethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID144898004
Molecular FormulaC23H32FNO2
Molecular Weight373.51 g/mol
Exact Mass373.24
IUPAC Nameethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC.CC(C)(C)Oc1cc(CCCN2Cc3cccc(F)c3C2)ccc1O
InChIInChI=1S/C21H26FNO2.C2H6/c1-21(2,3)25-20-12-15(9-10-19(20)24)6-5-11-23-13-16-7-4-8-18(22)17(16)14-23;1-2/h4,7-10,12,24H,5-6,11,13-14H2,1-3H3;1-2H3
InChIKeyWYRQFUVEVNTFRK-UHFFFAOYSA-N
XLogP5.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol with MolForge

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Related Compounds

5-Hexyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]phenol
CID 44450005
US10207991, Ex. Cpd. No. 28
CID 91826734
US10207991, Ex. Cpd. No. 8
CID 118282956
US10207991, Ex. Cpd. No. 34
CID 118282831
2-methoxy-4-[(3R)-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butyl]phenol
CID 71277007
US10207991, Ex. Cpd. No. 24
CID 118282826
US10207991, Ex. Cpd. No. 26
CID 118282827
US10207991, Ex. Cpd. No. 38
CID 118282836
US10207991, Ex. Cpd. No. 58
CID 118282837
US10207991, Ex. Cpd. No. 88
CID 118282855
US10207991, Ex. Cpd. No. 27
CID 118282877
US10207991, Ex. Cpd. No. 42
CID 118282881

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol (CID 144898004) is ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol is CC.CC(C)(C)Oc1cc(CCCN2Cc3cccc(F)c3C2)ccc1O.
What is the InChIKey of ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is WYRQFUVEVNTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2.C2H6/c1-21(2,3)25-20-12-15(9-10-19(20)24)6-5-11-23-13-16-7-4-8-18(22)17(16)14-23;1-2/h4,7-10,12,24H,5-6,11,13-14H2,1-3H3;1-2H3.
What are the key properties of ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol?
ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 373.51 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 144898004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).