1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane

C34H43NO3 — CID 143549988

IUPAC1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane
SMILESCC.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H37NO3.C2H6/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-2/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;1-2H3
InChIKeyNTJRBDVOLJYAES-UHFFFAOYSA-N
MW513.72 g/mol
LogP8.41
Rot. Bonds9

About 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane

1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane (PubChem CID 143549988) has the molecular formula C34H43NO3 and a molecular weight of 513.72 g/mol. Its IUPAC name is 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane.

Molecular Properties

Compound Name1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane
PubChem CID143549988
Molecular FormulaC34H43NO3
Molecular Weight513.72 g/mol
Exact Mass513.32
IUPAC Name1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane
SMILESCC.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1
InChIInChI=1S/C32H37NO3.C2H6/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-2/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;1-2H3
InChIKeyNTJRBDVOLJYAES-UHFFFAOYSA-N
XLogP8.41
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.72
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane with MolForge

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Related Compounds

1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-2-phenylethanone
CID 58986343
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(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
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2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
8-[4-[4-(oxan-2-yloxy)phenyl]phenyl]octan-2-yl benzoate
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(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
ethyl (2S)-2-[(2S)-oxan-2-yl]oxy-4-phenylbutanoate
CID 139682584
2-(3,4-dimethylphenoxy)oxane
CID 10987441
2-[4-[4-[5-(oxan-2-yloxy)hexyl]phenyl]phenoxy]oxane
CID 139657653
N-benzyl-2-[2,5-bis(oxan-2-yloxy)phenyl]-N-ethylacetamide
CID 100975330
2-[4-[4-[6-(oxan-2-yloxy)heptyl]phenyl]phenoxy]oxane
CID 139657325
(2S)-2-phenoxyoxolane
CID 86339377

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane?
The IUPAC name of 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane (CID 143549988) is 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane.
What is the SMILES notation for 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane?
The canonical SMILES for 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane is CC.CC(C)c1c(C(O)CCc2ccccc2)c2cc(OC3CCCCO3)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane?
The InChIKey is NTJRBDVOLJYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO3.C2H6/c1-23(2)32-31(29(34)19-16-24-11-5-3-6-12-24)27-21-26(36-30-15-9-10-20-35-30)17-18-28(27)33(32)22-25-13-7-4-8-14-25;1-2/h3-8,11-14,17-18,21,23,29-30,34H,9-10,15-16,19-20,22H2,1-2H3;1-2H3.
What are the key properties of 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane?
1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane has a molecular weight of 513.72 g/mol, XLogP of 8.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-3-phenylpropan-1-ol;ethane is sourced from PubChem (CID 143549988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).