2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan

C14H15ClO2 — CID 61083920

IUPAC2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
SMILESCOCCc1ccc(C(Cl)c2ccco2)cc1
InChIInChI=1S/C14H15ClO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h2-7,9,14H,8,10H2,1H3
InChIKeyDUAWNKVXVFZGNP-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.80
Rot. Bonds5

About 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan

2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan (PubChem CID 61083920) has the molecular formula C14H15ClO2 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan.

Molecular Properties

Compound Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
PubChem CID61083920
Molecular FormulaC14H15ClO2
Molecular Weight250.73 g/mol
Exact Mass250.08
IUPAC Name2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
SMILESCOCCc1ccc(C(Cl)c2ccco2)cc1
InChIInChI=1S/C14H15ClO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h2-7,9,14H,8,10H2,1H3
InChIKeyDUAWNKVXVFZGNP-UHFFFAOYSA-N
XLogP3.80
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.80
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

furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362
1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3,5-difluorobenzene
CID 61085120
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
CID 63429785
1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
1-[chloro(cyclopropyl)methyl]-4-(2-methoxyethyl)benzene
CID 61084514
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 62504750
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
2-(2-methoxyethyl)furan
CID 19010334
4-bromo-1-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-2-fluorobenzene
CID 63429439
1-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]-3-methylbenzene
CID 63429653
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan?
The IUPAC name of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan (CID 61083920) is 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan.
What is the SMILES notation for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan?
The canonical SMILES for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan is COCCc1ccc(C(Cl)c2ccco2)cc1.
What is the InChIKey of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan?
The InChIKey is DUAWNKVXVFZGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-16-10-8-11-4-6-12(7-5-11)14(15)13-3-2-9-17-13/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan?
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan has a molecular weight of 250.73 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan is sourced from PubChem (CID 61083920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).