(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol

C13H16Cl2O3 — CID 97293217

IUPAC(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESO[C@@H](CCC1OCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O3/c14-10-4-1-3-9(13(10)15)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,11-12,16H,2,5-8H2/t11-/m0/s1
InChIKeyLWKUDSVWWLLABC-NSHDSACASA-N
MW291.17 g/mol
LogP3.57
Rot. Bonds4

About (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol

(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol (PubChem CID 97293217) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
PubChem CID97293217
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
SMILESO[C@@H](CCC1OCCCO1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O3/c14-10-4-1-3-9(13(10)15)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,11-12,16H,2,5-8H2/t11-/m0/s1
InChIKeyLWKUDSVWWLLABC-NSHDSACASA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 91658309
(1R)-3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 97293344
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727960
(1S)-1-(4-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293209
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
CID 97293246
2-(cyclobutylamino)-1-(2,3-dichlorophenyl)ethanol;2-(2,3-dichlorophenyl)oxirane
CID 161287021

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol (CID 97293217) is (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol is O[C@@H](CCC1OCCCO1)c1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
The InChIKey is LWKUDSVWWLLABC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16Cl2O3/c14-10-4-1-3-9(13(10)15)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,11-12,16H,2,5-8H2/t11-/m0/s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol?
(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol has a molecular weight of 291.17 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol is sourced from PubChem (CID 97293217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).