1-chloro-3-[(3-methoxyphenyl)methoxy]benzene

C14H13ClO2 — CID 60627845

IUPAC1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClO2/c1-16-13-6-2-4-11(8-13)10-17-14-7-3-5-12(15)9-14/h2-9H,10H2,1H3
InChIKeyLACYSCREWGLPQN-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.93
Rot. Bonds4

About 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene

1-chloro-3-[(3-methoxyphenyl)methoxy]benzene (PubChem CID 60627845) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
PubChem CID60627845
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClO2/c1-16-13-6-2-4-11(8-13)10-17-14-7-3-5-12(15)9-14/h2-9H,10H2,1H3
InChIKeyLACYSCREWGLPQN-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
potassium trifluoro-[3-[(3-methoxyphenyl)methoxy]phenyl]boranuide
CID 63678299
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355
O-methyl 3-[(3-chlorophenyl)methoxy]benzenecarbothioate
CID 19768753
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95922512
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene (CID 60627845) is 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene is COc1cccc(COc2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene?
The InChIKey is LACYSCREWGLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-16-13-6-2-4-11(8-13)10-17-14-7-3-5-12(15)9-14/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene?
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene has a molecular weight of 248.71 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(3-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 60627845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).