(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane

C20H24O3 — CID 10267530

IUPAC(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
SMILESCOc1cccc(C[C@@H]2COC[C@H]2Cc2cccc(OC)c2)c1
InChIInChI=1S/C20H24O3/c1-21-19-7-3-5-15(11-19)9-17-13-23-14-18(17)10-16-6-4-8-20(12-16)22-2/h3-8,11-12,17-18H,9-10,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXOMXFRGFFGQGKM-QZTJIDSGSA-N
MW312.41 g/mol
LogP3.75
Rot. Bonds6

About (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane

(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane (PubChem CID 10267530) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane.

Molecular Properties

Compound Name(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
PubChem CID10267530
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
SMILESCOc1cccc(C[C@@H]2COC[C@H]2Cc2cccc(OC)c2)c1
InChIInChI=1S/C20H24O3/c1-21-19-7-3-5-15(11-19)9-17-13-23-14-18(17)10-16-6-4-8-20(12-16)22-2/h3-8,11-12,17-18H,9-10,13-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyXOMXFRGFFGQGKM-QZTJIDSGSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
(2S,3S,4S)-3-ethenyl-4-[(3-methoxyphenyl)methyl]-2-phenyloxolane
CID 101356629
4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
CID 59801682
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
tert-butyl N-[(3S,7R,8R,9S)-7,8-bis[(3-methoxyphenyl)methyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]carbamate
CID 118653524
3-(3-methoxyphenyl)oxetane
CID 130113867

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane?
The IUPAC name of (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane (CID 10267530) is (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane.
What is the SMILES notation for (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane?
The canonical SMILES for (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane is COc1cccc(C[C@@H]2COC[C@H]2Cc2cccc(OC)c2)c1.
What is the InChIKey of (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane?
The InChIKey is XOMXFRGFFGQGKM-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H24O3/c1-21-19-7-3-5-15(11-19)9-17-13-23-14-18(17)10-16-6-4-8-20(12-16)22-2/h3-8,11-12,17-18H,9-10,13-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane?
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane has a molecular weight of 312.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane is sourced from PubChem (CID 10267530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).