(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol

C20H23ClO3 — CID 67058210

IUPAC(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol
SMILESCCO[C@@H](CCO)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1
InChIInChI=1S/C20H23ClO3/c1-2-23-19(12-13-22)14-6-8-15(9-7-14)24-20-11-10-16-17(20)4-3-5-18(16)21/h3-9,19-20,22H,2,10-13H2,1H3/t19-,20+/m0/s1
InChIKeyFINOEZQUVMVYHS-VQTJNVASSA-N
MW346.85 g/mol
LogP4.87
Rot. Bonds7

About (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol

(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol (PubChem CID 67058210) has the molecular formula C20H23ClO3 and a molecular weight of 346.85 g/mol. Its IUPAC name is (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol.

Molecular Properties

Compound Name(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol
PubChem CID67058210
Molecular FormulaC20H23ClO3
Molecular Weight346.85 g/mol
Exact Mass346.13
IUPAC Name(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol
SMILESCCO[C@@H](CCO)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1
InChIInChI=1S/C20H23ClO3/c1-2-23-19(12-13-22)14-6-8-15(9-7-14)24-20-11-10-16-17(20)4-3-5-18(16)21/h3-9,19-20,22H,2,10-13H2,1H3/t19-,20+/m0/s1
InChIKeyFINOEZQUVMVYHS-VQTJNVASSA-N
XLogP4.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol?
The IUPAC name of (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol (CID 67058210) is (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol.
What is the SMILES notation for (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol?
The canonical SMILES for (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol is CCO[C@@H](CCO)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1.
What is the InChIKey of (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol?
The InChIKey is FINOEZQUVMVYHS-VQTJNVASSA-N. The full InChI is InChI=1S/C20H23ClO3/c1-2-23-19(12-13-22)14-6-8-15(9-7-14)24-20-11-10-16-17(20)4-3-5-18(16)21/h3-9,19-20,22H,2,10-13H2,1H3/t19-,20+/m0/s1.
What are the key properties of (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol?
(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol has a molecular weight of 346.85 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropan-1-ol is sourced from PubChem (CID 67058210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).