1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene

C14H12Cl2O — CID 82122933

IUPAC1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(CCl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2O/c1-17-12-4-2-3-11(8-12)13-7-10(9-15)5-6-14(13)16/h2-8H,9H2,1H3
InChIKeyMCXQHEAVHMHXDF-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.75
Rot. Bonds3

About 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene

1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene (PubChem CID 82122933) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene
PubChem CID82122933
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene
SMILESCOc1cccc(-c2cc(CCl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2O/c1-17-12-4-2-3-11(8-12)13-7-10(9-15)5-6-14(13)16/h2-8H,9H2,1H3
InChIKeyMCXQHEAVHMHXDF-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
CID 82119406
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
3-chloro-4-fluoro-5-(3-methoxyphenyl)aniline
CID 165495622
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[4-chloro-3-(4-methoxyphenyl)phenyl]ethanol
CID 170838643
3-[4-chloro-3-(3-methoxyphenyl)phenyl]-3-hydrazinylbutanamide
CID 143213390
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene?
The IUPAC name of 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene (CID 82122933) is 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene.
What is the SMILES notation for 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene?
The canonical SMILES for 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene is COc1cccc(-c2cc(CCl)ccc2Cl)c1.
What is the InChIKey of 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene?
The InChIKey is MCXQHEAVHMHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c1-17-12-4-2-3-11(8-12)13-7-10(9-15)5-6-14(13)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene?
1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene has a molecular weight of 267.16 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene is sourced from PubChem (CID 82122933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).