(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol

C15H12Cl2O — CID 129362559

IUPAC(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
SMILESC=C(c1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10(11-5-3-2-4-6-11)15(18)13-8-7-12(16)9-14(13)17/h2-9,15,18H,1H2/t15-/m0/s1
InChIKeySUBOIGQREGEHLI-HNNXBMFYSA-N
MW279.17 g/mol
LogP4.74
Rot. Bonds3

About (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol

(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol (PubChem CID 129362559) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
PubChem CID129362559
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
SMILESC=C(c1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10(11-5-3-2-4-6-11)15(18)13-8-7-12(16)9-14(13)17/h2-9,15,18H,1H2/t15-/m0/s1
InChIKeySUBOIGQREGEHLI-HNNXBMFYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435730
3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
1,2-diphenylprop-2-en-1-ol
CID 11586526
3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
CID 19817057
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
tert-butyl 2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enoate
CID 101468908
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
2,4-dichloro-1-[chloro(phenylsulfanyl)methyl]benzene
CID 15100871
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol (CID 129362559) is (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol is C=C(c1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol?
The InChIKey is SUBOIGQREGEHLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-10(11-5-3-2-4-6-11)15(18)13-8-7-12(16)9-14(13)17/h2-9,15,18H,1H2/t15-/m0/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol?
(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol has a molecular weight of 279.17 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol is sourced from PubChem (CID 129362559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).