1-(chloromethyl)-3-(3-methoxyphenoxy)benzene

C14H13ClO2 — CID 19421777

IUPAC1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
SMILESCOc1cccc(Oc2cccc(CCl)c2)c1
InChIInChI=1S/C14H13ClO2/c1-16-12-5-3-7-14(9-12)17-13-6-2-4-11(8-13)10-15/h2-9H,10H2,1H3
InChIKeyPKDKENALFTYLNM-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.23
Rot. Bonds4

About 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene

1-(chloromethyl)-3-(3-methoxyphenoxy)benzene (PubChem CID 19421777) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
PubChem CID19421777
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
SMILESCOc1cccc(Oc2cccc(CCl)c2)c1
InChIInChI=1S/C14H13ClO2/c1-16-12-5-3-7-14(9-12)17-13-6-2-4-11(8-13)10-15/h2-9H,10H2,1H3
InChIKeyPKDKENALFTYLNM-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
CID 139463113
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene (CID 19421777) is 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene is COc1cccc(Oc2cccc(CCl)c2)c1.
What is the InChIKey of 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene?
The InChIKey is PKDKENALFTYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-16-12-5-3-7-14(9-12)17-13-6-2-4-11(8-13)10-15/h2-9H,10H2,1H3.
What are the key properties of 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene?
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene has a molecular weight of 248.71 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(3-methoxyphenoxy)benzene is sourced from PubChem (CID 19421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).