3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan

C15H18O2 — CID 10585557

IUPAC3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan
SMILESCOc1ccc(C(C)C)c(Cc2ccoc2)c1
InChIInChI=1S/C15H18O2/c1-11(2)15-5-4-14(16-3)9-13(15)8-12-6-7-17-10-12/h4-7,9-11H,8H2,1-3H3
InChIKeyVDIGNRMAVCFEJW-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.00
Rot. Bonds4

About 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan

3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan (PubChem CID 10585557) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan.

Molecular Properties

Compound Name3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan
PubChem CID10585557
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan
SMILESCOc1ccc(C(C)C)c(Cc2ccoc2)c1
InChIInChI=1S/C15H18O2/c1-11(2)15-5-4-14(16-3)9-13(15)8-12-6-7-17-10-12/h4-7,9-11H,8H2,1-3H3
InChIKeyVDIGNRMAVCFEJW-UHFFFAOYSA-N
XLogP4.00
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(furan-3-yl)ethanamine
CID 83182670
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
CID 167607988
[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331682
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778
2-(furan-3-yl)-N-[3-(4-methoxyphenyl)butan-2-yl]acetamide
CID 126810206
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
[1-(furan-3-yl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205423

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan?
The IUPAC name of 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan (CID 10585557) is 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan.
What is the SMILES notation for 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan?
The canonical SMILES for 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan is COc1ccc(C(C)C)c(Cc2ccoc2)c1.
What is the InChIKey of 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan?
The InChIKey is VDIGNRMAVCFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(2)15-5-4-14(16-3)9-13(15)8-12-6-7-17-10-12/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan?
3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan has a molecular weight of 230.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-propan-2-ylphenyl)methyl]furan is sourced from PubChem (CID 10585557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).