1-(chloromethyl)-3-(1-phenylethoxy)benzene

C15H15ClO — CID 175182456

IUPAC1-(chloromethyl)-3-(1-phenylethoxy)benzene
SMILESCC(Oc1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C15H15ClO/c1-12(14-7-3-2-4-8-14)17-15-9-5-6-13(10-15)11-16/h2-10,12H,11H2,1H3
InChIKeyRFPXNPSUIDVMBB-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.57
Rot. Bonds4

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

1-(chloromethyl)-3-(1-phenylethoxy)benzene (PubChem CID 175182456) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(1-phenylethoxy)benzene
PubChem CID175182456
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-(chloromethyl)-3-(1-phenylethoxy)benzene
SMILESCC(Oc1cccc(CCl)c1)c1ccccc1
InChIInChI=1S/C15H15ClO/c1-12(14-7-3-2-4-8-14)17-15-9-5-6-13(10-15)11-16/h2-10,12H,11H2,1H3
InChIKeyRFPXNPSUIDVMBB-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.57
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-methyl-3-(1-phenylethoxy)benzene
CID 64765647
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-[3-(chloromethyl)phenyl]ethyl acetate
CID 140542956
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
1-(chloromethyl)-3-(difluoromethyl)benzene
CID 83854596
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
tris[3-[(1S)-1-phenoxyethyl]phenyl]phosphane
CID 101105292

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(1-phenylethoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-(1-phenylethoxy)benzene (CID 175182456) is 1-(chloromethyl)-3-(1-phenylethoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(1-phenylethoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(1-phenylethoxy)benzene is CC(Oc1cccc(CCl)c1)c1ccccc1.
What is the InChIKey of 1-(chloromethyl)-3-(1-phenylethoxy)benzene?
The InChIKey is RFPXNPSUIDVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-12(14-7-3-2-4-8-14)17-15-9-5-6-13(10-15)11-16/h2-10,12H,11H2,1H3.
What are the key properties of 1-(chloromethyl)-3-(1-phenylethoxy)benzene?
1-(chloromethyl)-3-(1-phenylethoxy)benzene has a molecular weight of 246.74 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(1-phenylethoxy)benzene is sourced from PubChem (CID 175182456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).