(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol

C14H20O4 — CID 97293200

IUPAC(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@H](O)CCC1OCCCO1
InChIInChI=1S/C14H20O4/c1-16-13-6-3-2-5-11(13)12(15)7-8-14-17-9-4-10-18-14/h2-3,5-6,12,14-15H,4,7-10H2,1H3/t12-/m1/s1
InChIKeyLESKOTFKQGXFJY-GFCCVEGCSA-N
MW252.31 g/mol
LogP2.27
Rot. Bonds5

About (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol

(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol (PubChem CID 97293200) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
PubChem CID97293200
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1[C@H](O)CCC1OCCCO1
InChIInChI=1S/C14H20O4/c1-16-13-6-3-2-5-11(13)12(15)7-8-14-17-9-4-10-18-14/h2-3,5-6,12,14-15H,4,7-10H2,1H3/t12-/m1/s1
InChIKeyLESKOTFKQGXFJY-GFCCVEGCSA-N
XLogP2.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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beta-D-Glucopyranoside, 4-methylphenyl
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2-Methoxybenzyl alcohol
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Icariside D2
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4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE
CID 44390556
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CID 92890
Isosalicin
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CID 24252761

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol (CID 97293200) is (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol is COc1ccccc1[C@H](O)CCC1OCCCO1.
What is the InChIKey of (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol?
The InChIKey is LESKOTFKQGXFJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-13-6-3-2-5-11(13)12(15)7-8-14-17-9-4-10-18-14/h2-3,5-6,12,14-15H,4,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol?
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 97293200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).