2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol

C29H41NO5 — CID 155724659

IUPAC2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol
SMILESCCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2OC2CC(O)CC(CO)O2)C1
InChIInChI=1S/C29H41NO5/c1-3-14-30(15-4-2)23-11-12-26-22(16-23)10-13-27(33-20-21-8-6-5-7-9-21)29(26)35-28-18-24(32)17-25(19-31)34-28/h5-10,13,23-25,28,31-32H,3-4,11-12,14-20H2,1-2H3
InChIKeyFZFTXDXUDPDUDO-UHFFFAOYSA-N
MW483.65 g/mol
LogP4.48
Rot. Bonds11

About 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol

2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 155724659) has the molecular formula C29H41NO5 and a molecular weight of 483.65 g/mol. Its IUPAC name is 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol
PubChem CID155724659
Molecular FormulaC29H41NO5
Molecular Weight483.65 g/mol
Exact Mass483.30
IUPAC Name2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol
SMILESCCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2OC2CC(O)CC(CO)O2)C1
InChIInChI=1S/C29H41NO5/c1-3-14-30(15-4-2)23-11-12-26-22(16-23)10-13-27(33-20-21-8-6-5-7-9-21)29(26)35-28-18-24(32)17-25(19-31)34-28/h5-10,13,23-25,28,31-32H,3-4,11-12,14-20H2,1-2H3
InChIKeyFZFTXDXUDPDUDO-UHFFFAOYSA-N
XLogP4.48
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol (CID 155724659) is 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol is CCCN(CCC)C1CCc2c(ccc(OCc3ccccc3)c2OC2CC(O)CC(CO)O2)C1.
What is the InChIKey of 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is FZFTXDXUDPDUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO5/c1-3-14-30(15-4-2)23-11-12-26-22(16-23)10-13-27(33-20-21-8-6-5-7-9-21)29(26)35-28-18-24(32)17-25(19-31)34-28/h5-10,13,23-25,28,31-32H,3-4,11-12,14-20H2,1-2H3.
What are the key properties of 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol?
2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 483.65 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dipropylamino)-2-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 155724659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).