1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene

C14H14Cl2O2 — CID 173062358

IUPAC1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2=C(Cl)CCC=C2Cl)cc1
InChIInChI=1S/C14H14Cl2O2/c1-17-11-7-5-10(6-8-11)9-18-14-12(15)3-2-4-13(14)16/h3,5-8H,2,4,9H2,1H3
InChIKeyPXQNQRCSEKLJDV-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.58
Rot. Bonds4

About 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene

1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene (PubChem CID 173062358) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene
PubChem CID173062358
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene
SMILESCOc1ccc(COC2=C(Cl)CCC=C2Cl)cc1
InChIInChI=1S/C14H14Cl2O2/c1-17-11-7-5-10(6-8-11)9-18-14-12(15)3-2-4-13(14)16/h3,5-8H,2,4,9H2,1H3
InChIKeyPXQNQRCSEKLJDV-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(cyclobuten-1-ylmethyl)-4-methoxybenzene
CID 101057270
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
CID 112613844
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
(4-methoxyphenyl)methyl hypobromite
CID 166766888

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene?
The IUPAC name of 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene (CID 173062358) is 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene?
The canonical SMILES for 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene is COc1ccc(COC2=C(Cl)CCC=C2Cl)cc1.
What is the InChIKey of 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene?
The InChIKey is PXQNQRCSEKLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-17-11-7-5-10(6-8-11)9-18-14-12(15)3-2-4-13(14)16/h3,5-8H,2,4,9H2,1H3.
What are the key properties of 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene?
1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene has a molecular weight of 285.17 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)oxymethyl]-4-methoxybenzene is sourced from PubChem (CID 173062358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).