1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene

C15H15ClO2 — CID 91316664

IUPAC1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
SMILESCOCCOc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO2/c1-17-9-10-18-15-4-2-3-13(11-15)12-5-7-14(16)8-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQMQSBUASPBRHSN-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.03
Rot. Bonds5

About 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene

1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene (PubChem CID 91316664) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
PubChem CID91316664
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
SMILESCOCCOc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClO2/c1-17-9-10-18-15-4-2-3-13(11-15)12-5-7-14(16)8-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQMQSBUASPBRHSN-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
CID 90046992
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
CID 60935769
2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
CID 23025912
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
CID 173357798
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene?
The IUPAC name of 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene (CID 91316664) is 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene is COCCOc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene?
The InChIKey is QMQSBUASPBRHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-17-9-10-18-15-4-2-3-13(11-15)12-5-7-14(16)8-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene?
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene has a molecular weight of 262.74 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene is sourced from PubChem (CID 91316664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).