bis(3-methoxyphenyl)-(oxolan-2-yl)methanol

C19H22O4 — CID 102218683

IUPACbis(3-methoxyphenyl)-(oxolan-2-yl)methanol
SMILESCOc1cccc(C(O)(c2cccc(OC)c2)C2CCCO2)c1
InChIInChI=1S/C19H22O4/c1-21-16-8-3-6-14(12-16)19(20,18-10-5-11-23-18)15-7-4-9-17(13-15)22-2/h3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3
InChIKeyJIRATJDJSLDAOG-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.12
Rot. Bonds5

About bis(3-methoxyphenyl)-(oxolan-2-yl)methanol

bis(3-methoxyphenyl)-(oxolan-2-yl)methanol (PubChem CID 102218683) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is bis(3-methoxyphenyl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Namebis(3-methoxyphenyl)-(oxolan-2-yl)methanol
PubChem CID102218683
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namebis(3-methoxyphenyl)-(oxolan-2-yl)methanol
SMILESCOc1cccc(C(O)(c2cccc(OC)c2)C2CCCO2)c1
InChIInChI=1S/C19H22O4/c1-21-16-8-3-6-14(12-16)19(20,18-10-5-11-23-18)15-7-4-9-17(13-15)22-2/h3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3
InChIKeyJIRATJDJSLDAOG-UHFFFAOYSA-N
XLogP3.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 61050166
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 23383812
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
1-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 82236080

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxyphenyl)-(oxolan-2-yl)methanol?
The IUPAC name of bis(3-methoxyphenyl)-(oxolan-2-yl)methanol (CID 102218683) is bis(3-methoxyphenyl)-(oxolan-2-yl)methanol.
What is the SMILES notation for bis(3-methoxyphenyl)-(oxolan-2-yl)methanol?
The canonical SMILES for bis(3-methoxyphenyl)-(oxolan-2-yl)methanol is COc1cccc(C(O)(c2cccc(OC)c2)C2CCCO2)c1.
What is the InChIKey of bis(3-methoxyphenyl)-(oxolan-2-yl)methanol?
The InChIKey is JIRATJDJSLDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-21-16-8-3-6-14(12-16)19(20,18-10-5-11-23-18)15-7-4-9-17(13-15)22-2/h3-4,6-9,12-13,18,20H,5,10-11H2,1-2H3.
What are the key properties of bis(3-methoxyphenyl)-(oxolan-2-yl)methanol?
bis(3-methoxyphenyl)-(oxolan-2-yl)methanol has a molecular weight of 314.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxyphenyl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 102218683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).