[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol

C24H27NO3 — CID 156548964

IUPAC[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol
SMILESOC[C@H]1OCCN(Cc2cccc3ccccc23)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c26-17-24-23(28-18-19-7-2-1-3-8-19)16-25(13-14-27-24)15-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,23-24,26H,13-18H2/t23-,24+/m0/s1
InChIKeyGRZJIYOIRRENNV-BJKOFHAPSA-N
MW377.48 g/mol
LogP3.62
Rot. Bonds6

About [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol

[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol (PubChem CID 156548964) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol.

Molecular Properties

Compound Name[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol
PubChem CID156548964
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol
SMILESOC[C@H]1OCCN(Cc2cccc3ccccc23)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c26-17-24-23(28-18-19-7-2-1-3-8-19)16-25(13-14-27-24)15-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,23-24,26H,13-18H2/t23-,24+/m0/s1
InChIKeyGRZJIYOIRRENNV-BJKOFHAPSA-N
XLogP3.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol?
The IUPAC name of [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol (CID 156548964) is [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol.
What is the SMILES notation for [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol?
The canonical SMILES for [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol is OC[C@H]1OCCN(Cc2cccc3ccccc23)C[C@@H]1OCc1ccccc1.
What is the InChIKey of [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol?
The InChIKey is GRZJIYOIRRENNV-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H27NO3/c26-17-24-23(28-18-19-7-2-1-3-8-19)16-25(13-14-27-24)15-21-11-6-10-20-9-4-5-12-22(20)21/h1-12,23-24,26H,13-18H2/t23-,24+/m0/s1.
What are the key properties of [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol?
[(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol has a molecular weight of 377.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7R)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepan-7-yl]methanol is sourced from PubChem (CID 156548964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).