(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol

C18H20O3 — CID 79755914

IUPAC(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
SMILESCC1OCCC1C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-13-17(11-12-20-13)18(19)14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h2-10,13,17-19H,11-12H2,1H3
InChIKeyPPBUXGUAJZKXCS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.94
Rot. Bonds4

About (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol

(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol (PubChem CID 79755914) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
PubChem CID79755914
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol
SMILESCC1OCCC1C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-13-17(11-12-20-13)18(19)14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h2-10,13,17-19H,11-12H2,1H3
InChIKeyPPBUXGUAJZKXCS-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol (CID 79755914) is (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol is CC1OCCC1C(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol?
The InChIKey is PPBUXGUAJZKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-17(11-12-20-13)18(19)14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h2-10,13,17-19H,11-12H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol?
(2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(4-phenoxyphenyl)methanol is sourced from PubChem (CID 79755914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).