(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol

C18H22O3 — CID 103432519

IUPAC(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCOc1c(C(O)c2ccc(C3CC3C)o2)ccc(C)c1C
InChIInChI=1S/C18H22O3/c1-10-5-6-13(18(20-4)12(10)3)17(19)16-8-7-15(21-16)14-9-11(14)2/h5-8,11,14,17,19H,9H2,1-4H3
InChIKeyHUKGWPFXAXKUSG-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.11
Rot. Bonds4

About (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol

(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol (PubChem CID 103432519) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
PubChem CID103432519
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
SMILESCOc1c(C(O)c2ccc(C3CC3C)o2)ccc(C)c1C
InChIInChI=1S/C18H22O3/c1-10-5-6-13(18(20-4)12(10)3)17(19)16-8-7-15(21-16)14-9-11(14)2/h5-8,11,14,17,19H,9H2,1-4H3
InChIKeyHUKGWPFXAXKUSG-UHFFFAOYSA-N
XLogP4.11
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol (CID 103432519) is (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol is COc1c(C(O)c2ccc(C3CC3C)o2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
The InChIKey is HUKGWPFXAXKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-10-5-6-13(18(20-4)12(10)3)17(19)16-8-7-15(21-16)14-9-11(14)2/h5-8,11,14,17,19H,9H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol?
(2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol has a molecular weight of 286.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol is sourced from PubChem (CID 103432519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).