(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane

C32H32O6 — CID 10929334

IUPAC(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane
SMILESCOc1ccc(COC[C@@]23CO[C@@H]([C@H](c4cccc5ccccc45)O2)[C@@H]3OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32O6/c1-33-25-14-10-22(11-15-25)18-35-20-32-21-37-30(31(32)36-19-23-12-16-26(34-2)17-13-23)29(38-32)28-9-5-7-24-6-3-4-8-27(24)28/h3-17,29-31H,18-21H2,1-2H3/t29-,30-,31-,32-/m0/s1
InChIKeyIPFAQMNAEFGGLO-YDPTYEFTSA-N
MW512.60 g/mol
LogP5.87
Rot. Bonds10

About (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane

(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane (PubChem CID 10929334) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane
PubChem CID10929334
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane
SMILESCOc1ccc(COC[C@@]23CO[C@@H]([C@H](c4cccc5ccccc45)O2)[C@@H]3OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32O6/c1-33-25-14-10-22(11-15-25)18-35-20-32-21-37-30(31(32)36-19-23-12-16-26(34-2)17-13-23)29(38-32)28-9-5-7-24-6-3-4-8-27(24)28/h3-17,29-31H,18-21H2,1-2H3/t29-,30-,31-,32-/m0/s1
InChIKeyIPFAQMNAEFGGLO-YDPTYEFTSA-N
XLogP5.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane with MolForge

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Related Compounds

(1S,4R,7S)-3-methoxy-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptane
CID 100938642
[(1S,4R,7S)-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 13009662
2,3,4-tris(phenylmethoxy)-1-(phenylmethoxymethyl)-6,8-dioxabicyclo[3.2.1]octane
CID 175814041
(1S,2R,3R,4R,5S)-4-methyl-2,3-bis(phenylmethoxy)-1-(phenylmethoxymethyl)-6,8-dioxabicyclo[3.2.1]octane
CID 163488560
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 59226849
(3S,5R)-2,2-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 163784650
5-methyl-1-[(1S,3S,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 15374268
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-[(1S,3R,4R,7S)-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
CID 57310848
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 59226813
(3aR,5R,6R)-5-ethyl-6-[(4-methoxyphenyl)methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 71190309
2-[7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]phenol
CID 23579102

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane?
The IUPAC name of (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane (CID 10929334) is (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane is COc1ccc(COC[C@@]23CO[C@@H]([C@H](c4cccc5ccccc45)O2)[C@@H]3OCc2ccc(OC)cc2)cc1.
What is the InChIKey of (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane?
The InChIKey is IPFAQMNAEFGGLO-YDPTYEFTSA-N. The full InChI is InChI=1S/C32H32O6/c1-33-25-14-10-22(11-15-25)18-35-20-32-21-37-30(31(32)36-19-23-12-16-26(34-2)17-13-23)29(38-32)28-9-5-7-24-6-3-4-8-27(24)28/h3-17,29-31H,18-21H2,1-2H3/t29-,30-,31-,32-/m0/s1.
What are the key properties of (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane?
(1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane has a molecular weight of 512.60 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,7S)-7-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methoxymethyl]-3-naphthalen-1-yl-2,5-dioxabicyclo[2.2.1]heptane is sourced from PubChem (CID 10929334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).