2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol

C31H30O4 — CID 135321875

IUPAC2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)CC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C31H30O4/c32-18-20-34-26-14-10-24(11-15-26)31(25-12-16-27(17-13-25)35-21-19-33)22-29(23-6-2-1-3-7-23)28-8-4-5-9-30(28)31/h1-17,29,32-33H,18-22H2
InChIKeyRSCGIDACMOZZHV-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.30
Rot. Bonds9

About 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol

2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol (PubChem CID 135321875) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol
PubChem CID135321875
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)CC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C31H30O4/c32-18-20-34-26-14-10-24(11-15-26)31(25-12-16-27(17-13-25)35-21-19-33)22-29(23-6-2-1-3-7-23)28-8-4-5-9-30(28)31/h1-17,29,32-33H,18-22H2
InChIKeyRSCGIDACMOZZHV-UHFFFAOYSA-N
XLogP5.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol (CID 135321875) is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)cc3)CC(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol?
The InChIKey is RSCGIDACMOZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4/c32-18-20-34-26-14-10-24(11-15-26)31(25-12-16-27(17-13-25)35-21-19-33)22-29(23-6-2-1-3-7-23)28-8-4-5-9-30(28)31/h1-17,29,32-33H,18-22H2.
What are the key properties of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol?
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol has a molecular weight of 466.58 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol is sourced from PubChem (CID 135321875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).