[2-(4-propoxyphenyl)oxolan-3-yl]methanol

C14H20O3 — CID 79365877

IUPAC[2-(4-propoxyphenyl)oxolan-3-yl]methanol
SMILESCCCOc1ccc(C2OCCC2CO)cc1
InChIInChI=1S/C14H20O3/c1-2-8-16-13-5-3-11(4-6-13)14-12(10-15)7-9-17-14/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyAVHKKSMPJGPBFC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.55
Rot. Bonds5

About [2-(4-propoxyphenyl)oxolan-3-yl]methanol

[2-(4-propoxyphenyl)oxolan-3-yl]methanol (PubChem CID 79365877) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-(4-propoxyphenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-propoxyphenyl)oxolan-3-yl]methanol
PubChem CID79365877
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[2-(4-propoxyphenyl)oxolan-3-yl]methanol
SMILESCCCOc1ccc(C2OCCC2CO)cc1
InChIInChI=1S/C14H20O3/c1-2-8-16-13-5-3-11(4-6-13)14-12(10-15)7-9-17-14/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyAVHKKSMPJGPBFC-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
5-tert-butyl-2-(4-propoxyphenyl)-1,4-oxazepane
CID 106352888
2-(4-butoxyphenyl)-4-ethyl-1,3-dioxane
CID 23041443
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol
CID 158770285
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
2-(4-butoxyphenyl)-4-pentyl-1,3-dioxane
CID 23041609
1-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-4-propoxybenzene
CID 18656241
5-butyl-2-(4-propoxyphenyl)oxane
CID 21247833
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370941
5-pentyl-2-(4-propoxyphenyl)-1,3-dioxane
CID 12924949

Frequently Asked Questions

What is the IUPAC name of [2-(4-propoxyphenyl)oxolan-3-yl]methanol?
The IUPAC name of [2-(4-propoxyphenyl)oxolan-3-yl]methanol (CID 79365877) is [2-(4-propoxyphenyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(4-propoxyphenyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(4-propoxyphenyl)oxolan-3-yl]methanol is CCCOc1ccc(C2OCCC2CO)cc1.
What is the InChIKey of [2-(4-propoxyphenyl)oxolan-3-yl]methanol?
The InChIKey is AVHKKSMPJGPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-8-16-13-5-3-11(4-6-13)14-12(10-15)7-9-17-14/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of [2-(4-propoxyphenyl)oxolan-3-yl]methanol?
[2-(4-propoxyphenyl)oxolan-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propoxyphenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 79365877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).