5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran

C19H21ClO — CID 115482879

IUPAC5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1CC
InChIInChI=1S/C19H21ClO/c1-3-13-5-6-16(11-14(13)4-2)19(20)17-7-8-18-15(12-17)9-10-21-18/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyNDCCLEILRMZTAO-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.07
Rot. Bonds4

About 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran

5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 115482879) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID115482879
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1CC
InChIInChI=1S/C19H21ClO/c1-3-13-5-6-16(11-14(13)4-2)19(20)17-7-8-18-15(12-17)9-10-21-18/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyNDCCLEILRMZTAO-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.07
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

5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79975052
5-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084634
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 115482879) is 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran is CCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1CC.
What is the InChIKey of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is NDCCLEILRMZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-3-13-5-6-16(11-14(13)4-2)19(20)17-7-8-18-15(12-17)9-10-21-18/h5-8,11-12,19H,3-4,9-10H2,1-2H3.
What are the key properties of 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 300.83 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115482879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).