1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene

C18H21ClO2 — CID 63543351

IUPAC1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
SMILESCCCOc1cccc(C(Cl)Cc2ccccc2OC)c1
InChIInChI=1S/C18H21ClO2/c1-3-11-21-16-9-6-8-14(12-16)17(19)13-15-7-4-5-10-18(15)20-2/h4-10,12,17H,3,11,13H2,1-2H3
InChIKeyHAKJHEYWDKYRJE-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.01
Rot. Bonds7

About 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene

1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene (PubChem CID 63543351) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
PubChem CID63543351
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
SMILESCCCOc1cccc(C(Cl)Cc2ccccc2OC)c1
InChIInChI=1S/C18H21ClO2/c1-3-11-21-16-9-6-8-14(12-16)17(19)13-15-7-4-5-10-18(15)20-2/h4-10,12,17H,3,11,13H2,1-2H3
InChIKeyHAKJHEYWDKYRJE-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.01
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

(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63543176
2-chloro-4-[chloro-(3-propoxyphenyl)methyl]-1-methoxybenzene
CID 63428664
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
1-(1-bromo-2-phenylethyl)-3-propoxybenzene
CID 63529881
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61084951
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene?
The IUPAC name of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene (CID 63543351) is 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene is CCCOc1cccc(C(Cl)Cc2ccccc2OC)c1.
What is the InChIKey of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene?
The InChIKey is HAKJHEYWDKYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-3-11-21-16-9-6-8-14(12-16)17(19)13-15-7-4-5-10-18(15)20-2/h4-10,12,17H,3,11,13H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene?
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene has a molecular weight of 304.82 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene is sourced from PubChem (CID 63543351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).