1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene

C20H15Cl3O2 — CID 139750786

IUPAC1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene
SMILESClC(Cl)=CCOc1cccc2c(OCc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C20H15Cl3O2/c21-15-9-7-14(8-10-15)13-25-19-6-2-3-16-17(19)4-1-5-18(16)24-12-11-20(22)23/h1-11H,12-13H2
InChIKeySYVAECWTXDJDSJ-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.77
Rot. Bonds6

About 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene

1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene (PubChem CID 139750786) has the molecular formula C20H15Cl3O2 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene
PubChem CID139750786
Molecular FormulaC20H15Cl3O2
Molecular Weight393.70 g/mol
Exact Mass392.01
IUPAC Name1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene
SMILESClC(Cl)=CCOc1cccc2c(OCc3ccc(Cl)cc3)cccc12
InChIInChI=1S/C20H15Cl3O2/c21-15-9-7-14(8-10-15)13-25-19-6-2-3-16-17(19)4-1-5-18(16)24-12-11-20(22)23/h1-11H,12-13H2
InChIKeySYVAECWTXDJDSJ-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
1-chloro-4-[[4-(5,5-dichloropent-4-enoxy)phenoxy]methyl]benzene
CID 71409019
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
CID 139750790
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene (CID 139750786) is 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene is ClC(Cl)=CCOc1cccc2c(OCc3ccc(Cl)cc3)cccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene?
The InChIKey is SYVAECWTXDJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3O2/c21-15-9-7-14(8-10-15)13-25-19-6-2-3-16-17(19)4-1-5-18(16)24-12-11-20(22)23/h1-11H,12-13H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene?
1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene has a molecular weight of 393.70 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)naphthalene is sourced from PubChem (CID 139750786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).