5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride

C16H17ClO3 — CID 19619566

IUPAC5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)Cl)o2)c1
InChIInChI=1S/C16H17ClO3/c1-10(2)13-6-4-11(3)8-15(13)19-9-12-5-7-14(20-12)16(17)18/h4-8,10H,9H2,1-3H3
InChIKeyBJPNYTMNRZLKKC-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.67
Rot. Bonds5

About 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride

5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride (PubChem CID 19619566) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
PubChem CID19619566
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
SMILESCc1ccc(C(C)C)c(OCc2ccc(C(=O)Cl)o2)c1
InChIInChI=1S/C16H17ClO3/c1-10(2)13-6-4-11(3)8-15(13)19-9-12-5-7-14(20-12)16(17)18/h4-8,10H,9H2,1-3H3
InChIKeyBJPNYTMNRZLKKC-UHFFFAOYSA-N
XLogP4.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456728
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
CID 19297067
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19322731
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19456697
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19571696
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19460792
N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456660
N-[4-(difluoromethoxy)-2-methylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456726
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylate
CID 7015019
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456610
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456761
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
CID 115969368

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride?
The IUPAC name of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride (CID 19619566) is 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride.
What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride?
The canonical SMILES for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Cl)o2)c1.
What is the InChIKey of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride?
The InChIKey is BJPNYTMNRZLKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-10(2)13-6-4-11(3)8-15(13)19-9-12-5-7-14(20-12)16(17)18/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride?
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride has a molecular weight of 292.76 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride is sourced from PubChem (CID 19619566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).