1-(chloromethyl)-3-(2-methylphenoxy)benzene

C14H13ClO — CID 112594476

IUPAC1-(chloromethyl)-3-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(CCl)c1
InChIInChI=1S/C14H13ClO/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10H2,1H3
InChIKeyTVCZKPPRKXJQFQ-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.53
Rot. Bonds3

About 1-(chloromethyl)-3-(2-methylphenoxy)benzene

1-(chloromethyl)-3-(2-methylphenoxy)benzene (PubChem CID 112594476) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(2-methylphenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(2-methylphenoxy)benzene
PubChem CID112594476
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-(chloromethyl)-3-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1cccc(CCl)c1
InChIInChI=1S/C14H13ClO/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10H2,1H3
InChIKeyTVCZKPPRKXJQFQ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.53
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

2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
3-[3-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659207
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
CID 150548466
4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
CID 139463113
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-(chloromethyl)-3-(3-iodophenoxy)benzene
CID 112594493
4-(chloromethyl)-2-methyl-1-(3-nitrophenoxy)benzene
CID 63567497

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(2-methylphenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-(2-methylphenoxy)benzene (CID 112594476) is 1-(chloromethyl)-3-(2-methylphenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(2-methylphenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(2-methylphenoxy)benzene is Cc1ccccc1Oc1cccc(CCl)c1.
What is the InChIKey of 1-(chloromethyl)-3-(2-methylphenoxy)benzene?
The InChIKey is TVCZKPPRKXJQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15/h2-9H,10H2,1H3.
What are the key properties of 1-(chloromethyl)-3-(2-methylphenoxy)benzene?
1-(chloromethyl)-3-(2-methylphenoxy)benzene has a molecular weight of 232.71 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(2-methylphenoxy)benzene is sourced from PubChem (CID 112594476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).