(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol

C15H13Cl3O2 — CID 125466536

IUPAC(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
SMILESOC[C@@H](COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O2/c16-12-3-1-10(2-4-12)11(8-19)9-20-15-6-5-13(17)7-14(15)18/h1-7,11,19H,8-9H2/t11-/m0/s1
InChIKeyZPRNXHYWYJSSLH-NSHDSACASA-N
MW331.63 g/mol
LogP4.80
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol

(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol (PubChem CID 125466536) has the molecular formula C15H13Cl3O2 and a molecular weight of 331.63 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
PubChem CID125466536
Molecular FormulaC15H13Cl3O2
Molecular Weight331.63 g/mol
Exact Mass330.00
IUPAC Name(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
SMILESOC[C@@H](COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O2/c16-12-3-1-10(2-4-12)11(8-19)9-20-15-6-5-13(17)7-14(15)18/h1-7,11,19H,8-9H2/t11-/m0/s1
InChIKeyZPRNXHYWYJSSLH-NSHDSACASA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981788
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol (CID 125466536) is (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol is OC[C@@H](COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol?
The InChIKey is ZPRNXHYWYJSSLH-NSHDSACASA-N. The full InChI is InChI=1S/C15H13Cl3O2/c16-12-3-1-10(2-4-12)11(8-19)9-20-15-6-5-13(17)7-14(15)18/h1-7,11,19H,8-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol?
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol has a molecular weight of 331.63 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol is sourced from PubChem (CID 125466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).