1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol

C18H18Cl2O2 — CID 175610525

IUPAC1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol
SMILESOC(CCl)COC/C(=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18Cl2O2/c19-11-18(21)13-22-12-16(15-4-2-1-3-5-15)10-14-6-8-17(20)9-7-14/h1-10,18,21H,11-13H2/b16-10-
InChIKeyKEDGBWBRDLDAAX-YBEGLDIGSA-N
MW337.25 g/mol
LogP4.50
Rot. Bonds7

About 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol

1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol (PubChem CID 175610525) has the molecular formula C18H18Cl2O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol
PubChem CID175610525
Molecular FormulaC18H18Cl2O2
Molecular Weight337.25 g/mol
Exact Mass336.07
IUPAC Name1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol
SMILESOC(CCl)COC/C(=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H18Cl2O2/c19-11-18(21)13-22-12-16(15-4-2-1-3-5-15)10-14-6-8-17(20)9-7-14/h1-10,18,21H,11-13H2/b16-10-
InChIKeyKEDGBWBRDLDAAX-YBEGLDIGSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
2-[(E)-2,3-diphenylprop-2-enoxy]ethanol
CID 67713880
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(1E)-1-(4-chlorophenyl)-2-phenylpenta-1,4-dien-3-ol
CID 135241983
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
CID 152586200
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
methyl (E)-2-(4-chlorobenzoyl)-3-phenylprop-2-enoate
CID 24808600
1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
CID 135021916
2-[4-(4-chlorophenyl)-2-oxobut-3-enoxy]-3-phenylprop-2-enal
CID 173435819
4-(4-chlorophenoxy)-3-phenylbut-2-enoic acid
CID 66759105

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol?
The IUPAC name of 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol (CID 175610525) is 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol is OC(CCl)COC/C(=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol?
The InChIKey is KEDGBWBRDLDAAX-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H18Cl2O2/c19-11-18(21)13-22-12-16(15-4-2-1-3-5-15)10-14-6-8-17(20)9-7-14/h1-10,18,21H,11-13H2/b16-10-.
What are the key properties of 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol?
1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol has a molecular weight of 337.25 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoxy]propan-2-ol is sourced from PubChem (CID 175610525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).