1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol

C34H28N2O3 — CID 10625577

IUPAC1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H28N2O3/c1-34(37,26-12-18-30(19-13-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28)27-14-20-31(21-15-27)39-23-29-17-11-25-7-3-5-9-33(25)36-29/h2-21,37H,22-23H2,1H3
InChIKeyCDPRICNKYOJDPR-UHFFFAOYSA-N
MW512.61 g/mol
LogP7.20
Rot. Bonds8

About 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol

1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol (PubChem CID 10625577) has the molecular formula C34H28N2O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol
PubChem CID10625577
Molecular FormulaC34H28N2O3
Molecular Weight512.61 g/mol
Exact Mass512.21
IUPAC Name1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol
SMILESCC(O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C34H28N2O3/c1-34(37,26-12-18-30(19-13-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28)27-14-20-31(21-15-27)39-23-29-17-11-25-7-3-5-9-33(25)36-29/h2-21,37H,22-23H2,1H3
InChIKeyCDPRICNKYOJDPR-UHFFFAOYSA-N
XLogP7.20
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol (CID 10625577) is 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol is CC(O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol?
The InChIKey is CDPRICNKYOJDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O3/c1-34(37,26-12-18-30(19-13-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28)27-14-20-31(21-15-27)39-23-29-17-11-25-7-3-5-9-33(25)36-29/h2-21,37H,22-23H2,1H3.
What are the key properties of 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol?
1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol has a molecular weight of 512.61 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[4-(quinolin-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 10625577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).