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

C19H18Cl2O2 — CID 75081705

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
SMILESC=CCc1cc(C=CCO)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2O2/c1-2-4-16-11-14(5-3-10-22)7-9-19(16)23-13-15-6-8-17(20)18(21)12-15/h2-3,5-9,11-12,22H,1,4,10,13H2
InChIKeyGCJWPNKJZHVCRI-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.31
Rot. Bonds7

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

3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol (PubChem CID 75081705) has the molecular formula C19H18Cl2O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
PubChem CID75081705
Molecular FormulaC19H18Cl2O2
Molecular Weight349.26 g/mol
Exact Mass348.07
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
SMILESC=CCc1cc(C=CCO)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2O2/c1-2-4-16-11-14(5-3-10-22)7-9-19(16)23-13-15-6-8-17(20)18(21)12-15/h2-3,5-9,11-12,22H,1,4,10,13H2
InChIKeyGCJWPNKJZHVCRI-UHFFFAOYSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
CID 75081708
3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 141145493
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
ethyl 3-[4-[(4-chlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-enoate
CID 141145497
4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde
CID 23073341
methyl (E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684816
(E)-3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684801
3-[4-[(3,4-dichlorophenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-en-1-ol
CID 141140354
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
3-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4220929
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol (CID 75081705) is 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol is C=CCc1cc(C=CCO)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol?
The InChIKey is GCJWPNKJZHVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O2/c1-2-4-16-11-14(5-3-10-22)7-9-19(16)23-13-15-6-8-17(20)18(21)12-15/h2-3,5-9,11-12,22H,1,4,10,13H2.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol?
3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol has a molecular weight of 349.26 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol is sourced from PubChem (CID 75081705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).