1-chloro-3-[(4-methoxyphenoxy)methyl]benzene

C14H13ClO2 — CID 112788879

IUPAC1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO2/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h2-9H,10H2,1H3
InChIKeyKSCWRUMEKFXNSS-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.93
Rot. Bonds4

About 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene

1-chloro-3-[(4-methoxyphenoxy)methyl]benzene (PubChem CID 112788879) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
PubChem CID112788879
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClO2/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h2-9H,10H2,1H3
InChIKeyKSCWRUMEKFXNSS-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-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene (CID 112788879) is 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene is COc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene?
The InChIKey is KSCWRUMEKFXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-16-13-5-7-14(8-6-13)17-10-11-3-2-4-12(15)9-11/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-3-[(4-methoxyphenoxy)methyl]benzene?
1-chloro-3-[(4-methoxyphenoxy)methyl]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-[(4-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 112788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).