(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane

C24H24O4 — CID 154446949

IUPAC(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)C[C@H]2CO[C@@H](C1)O2
InChIInChI=1S/C24H24O4/c1-25-24(13-22-16-27-23(14-24)28-22)20-7-4-8-21(12-20)26-15-17-9-10-18-5-2-3-6-19(18)11-17/h2-12,22-23H,13-16H2,1H3/t22-,23+,24-/m0/s1
InChIKeyPJBYZXNLGWWYFB-VXNXHJTFSA-N
MW376.45 g/mol
LogP4.80
Rot. Bonds5

About (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane

(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 154446949) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
PubChem CID154446949
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)C[C@H]2CO[C@@H](C1)O2
InChIInChI=1S/C24H24O4/c1-25-24(13-22-16-27-23(14-24)28-22)20-7-4-8-21(12-20)26-15-17-9-10-18-5-2-3-6-19(18)11-17/h2-12,22-23H,13-16H2,1H3/t22-,23+,24-/m0/s1
InChIKeyPJBYZXNLGWWYFB-VXNXHJTFSA-N
XLogP4.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
CID 19899554
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 19899551
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
CID 67797905
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane
CID 19756612
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
CID 70356366
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
CID 100966830
2-[[3-(1,4-dimethoxybutan-2-yl)phenoxy]methyl]naphthalene
CID 70366053
2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol
CID 67798726

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane (CID 154446949) is (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane is CO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)C[C@H]2CO[C@@H](C1)O2.
What is the InChIKey of (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is PJBYZXNLGWWYFB-VXNXHJTFSA-N. The full InChI is InChI=1S/C24H24O4/c1-25-24(13-22-16-27-23(14-24)28-22)20-7-4-8-21(12-20)26-15-17-9-10-18-5-2-3-6-19(18)11-17/h2-12,22-23H,13-16H2,1H3/t22-,23+,24-/m0/s1.
What are the key properties of (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane?
(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 376.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 154446949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).