3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol

C19H20Cl2O5 — CID 141140354

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol
SMILESCOc1cc(C=CCO)c(OC)c(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2O5/c1-23-16-10-13(5-4-8-22)17(24-2)19(25-3)18(16)26-11-12-6-7-14(20)15(21)9-12/h4-7,9-10,22H,8,11H2,1-3H3
InChIKeyZWWKMGOUJSMZCO-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.60
Rot. Bonds8

About 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol

3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol (PubChem CID 141140354) has the molecular formula C19H20Cl2O5 and a molecular weight of 399.27 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol
PubChem CID141140354
Molecular FormulaC19H20Cl2O5
Molecular Weight399.27 g/mol
Exact Mass398.07
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol
SMILESCOc1cc(C=CCO)c(OC)c(OC)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2O5/c1-23-16-10-13(5-4-8-22)17(24-2)19(25-3)18(16)26-11-12-6-7-14(20)15(21)9-12/h4-7,9-10,22H,8,11H2,1-3H3
InChIKeyZWWKMGOUJSMZCO-UHFFFAOYSA-N
XLogP4.60
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid
CID 141140361
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
CID 75081705
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 91689795
(E)-2-(4-bromophenyl)-3-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
CID 126002366
(E)-1-cyclopropyl-3-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-en-1-one
CID 19558963
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 17056835

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol (CID 141140354) is 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol is COc1cc(C=CCO)c(OC)c(OC)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol?
The InChIKey is ZWWKMGOUJSMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O5/c1-23-16-10-13(5-4-8-22)17(24-2)19(25-3)18(16)26-11-12-6-7-14(20)15(21)9-12/h4-7,9-10,22H,8,11H2,1-3H3.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol?
3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol has a molecular weight of 399.27 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol is sourced from PubChem (CID 141140354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).