(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol

C15H22O3 — CID 97293246

IUPAC(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc([C@H](O)CCC2OCCCO2)cc1
InChIInChI=1S/C15H22O3/c1-2-12-4-6-13(7-5-12)14(16)8-9-15-17-10-3-11-18-15/h4-7,14-16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyXMMCRQSJJUQPDP-CQSZACIVSA-N
MW250.34 g/mol
LogP2.83
Rot. Bonds5

About (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol

(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol (PubChem CID 97293246) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
PubChem CID97293246
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc([C@H](O)CCC2OCCCO2)cc1
InChIInChI=1S/C15H22O3/c1-2-12-4-6-13(7-5-12)14(16)8-9-15-17-10-3-11-18-15/h4-7,14-16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyXMMCRQSJJUQPDP-CQSZACIVSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
1-p-Tolylethanol, (+)-
CID 6999807
4-Methyl-alpha-propylbenzenemethanol
CID 95404
1-(4-Isobutylphenyl)ethanol
CID 181654
4,4'-Dimethylbenzhydrol
CID 279356
1-p-Tolylethanol, (-)-
CID 6993963
1-(4-Methylphenyl)-1-propanol
CID 2793873
2-(4-Methylphenyl)-1,3-dioxan-5-ol
CID 52856
1-(4-Ethylphenyl)ethanol
CID 13481016
1,3-Dioxane, 2,4-dimethyl-6-phenyl-
CID 170412
4-(Hydroxymethyl)benzaldehyde dimethyl acetal
CID 3391102

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol?
The IUPAC name of (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol (CID 97293246) is (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol is CCc1ccc([C@H](O)CCC2OCCCO2)cc1.
What is the InChIKey of (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol?
The InChIKey is XMMCRQSJJUQPDP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-12-4-6-13(7-5-12)14(16)8-9-15-17-10-3-11-18-15/h4-7,14-16H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol?
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol is sourced from PubChem (CID 97293246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).