1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene

C14H12Cl2O — CID 107310396

IUPAC1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H12Cl2O/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h2-8H,9H2,1H3
InChIKeyKCWNDWGUMHFFSV-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.88
Rot. Bonds3

About 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene

1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene (PubChem CID 107310396) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
PubChem CID107310396
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H12Cl2O/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h2-8H,9H2,1H3
InChIKeyKCWNDWGUMHFFSV-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
(1R)-1-[3-[(2,3-dichlorophenyl)methoxy]phenyl]ethanol
CID 107094586
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 107309264
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene (CID 107310396) is 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene is Cc1cccc(OCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene?
The InChIKey is KCWNDWGUMHFFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(15)14(11)16/h2-8H,9H2,1H3.
What are the key properties of 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene?
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene has a molecular weight of 267.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 107310396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).