trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate

C17H18O5 — CID 99588473

IUPACtrans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)[C@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C17H18O5/c1-19-12-5-6-15(20-2)11(8-12)10-22-17(18)14-9-13(14)16-4-3-7-21-16/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXERCYRSFPWZXGB-KBPBESRZSA-N
MW302.33 g/mol
LogP3.14
Rot. Bonds6

About trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate

trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 99588473) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID99588473
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Nametrans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc(OC)c(COC(=O)[C@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C17H18O5/c1-19-12-5-6-15(20-2)11(8-12)10-22-17(18)14-9-13(14)16-4-3-7-21-16/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXERCYRSFPWZXGB-KBPBESRZSA-N
XLogP3.14
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71987439
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
N-cyclopropyl-2-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86851913
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97016443
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
CID 150562472
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
trans-(1-cyclopropyltetrazol-5-yl)methyl (1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97012806
4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide
CID 96528991

Frequently Asked Questions

What is the IUPAC name of trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate (CID 99588473) is trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate is COc1ccc(OC)c(COC(=O)[C@H]2C[C@@H]2c2ccco2)c1.
What is the InChIKey of trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is XERCYRSFPWZXGB-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-12-5-6-15(20-2)11(8-12)10-22-17(18)14-9-13(14)16-4-3-7-21-16/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate?
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 99588473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).