5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran

C16H13ClO2 — CID 117175928

IUPAC5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H13ClO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10H2,1H3
InChIKeyQYTCQWYNJBZBKB-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.97
Rot. Bonds3

About 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran

5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran (PubChem CID 117175928) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
PubChem CID117175928
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
SMILESCc1cccc(OCc2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H13ClO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10H2,1H3
InChIKeyQYTCQWYNJBZBKB-UHFFFAOYSA-N
XLogP4.97
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
3-[(5-chloro-1-benzofuran-2-yl)methoxy]pyridine
CID 117175979
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
[7-[(5-chloro-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-ylidene]oxidanium
CID 163451349
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The IUPAC name of 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran (CID 117175928) is 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The canonical SMILES for 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran is Cc1cccc(OCc2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
The InChIKey is QYTCQWYNJBZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran?
5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran has a molecular weight of 272.73 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117175928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).