1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene

C17H14Cl2O — CID 102467504

IUPAC1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
SMILESClc1cc(Cl)c(OCc2ccccc2)c(C=C2CC2)c1
InChIInChI=1S/C17H14Cl2O/c18-15-9-14(8-12-6-7-12)17(16(19)10-15)20-11-13-4-2-1-3-5-13/h1-5,8-10H,6-7,11H2
InChIKeyKJEIHJVQEQMKLP-UHFFFAOYSA-N
MW305.20 g/mol
LogP5.75
Rot. Bonds4

About 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene

1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene (PubChem CID 102467504) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
PubChem CID102467504
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
SMILESClc1cc(Cl)c(OCc2ccccc2)c(C=C2CC2)c1
InChIInChI=1S/C17H14Cl2O/c18-15-9-14(8-12-6-7-12)17(16(19)10-15)20-11-13-4-2-1-3-5-13/h1-5,8-10H,6-7,11H2
InChIKeyKJEIHJVQEQMKLP-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dichloro-2-phenylmethoxyphenyl)-N-methylmethanimine oxide
CID 20850887
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137069537
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
(5Z)-2-(4-chlorophenyl)imino-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137069579
(5Z)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137069633
(5E)-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 126053457
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
(4Z)-4-[[3,5-dichloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 126087962
2-[(4-tert-butylphenyl)methoxy]-3,5-dichlorobenzaldehyde
CID 129323176
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
(4Z)-4-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126087199
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene?
The IUPAC name of 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene (CID 102467504) is 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene?
The canonical SMILES for 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene is Clc1cc(Cl)c(OCc2ccccc2)c(C=C2CC2)c1.
What is the InChIKey of 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene?
The InChIKey is KJEIHJVQEQMKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O/c18-15-9-14(8-12-6-7-12)17(16(19)10-15)20-11-13-4-2-1-3-5-13/h1-5,8-10H,6-7,11H2.
What are the key properties of 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene?
1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene has a molecular weight of 305.20 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene is sourced from PubChem (CID 102467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).