cycloheptyl-(2,4,5-trimethoxyphenyl)methanol

C17H26O4 — CID 82932669

IUPACcycloheptyl-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCCCCC2)cc1OC
InChIInChI=1S/C17H26O4/c1-19-14-11-16(21-3)15(20-2)10-13(14)17(18)12-8-6-4-5-7-9-12/h10-12,17-18H,4-9H2,1-3H3
InChIKeyQGLIMAGJUPFYHE-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.72
Rot. Bonds5

About cycloheptyl-(2,4,5-trimethoxyphenyl)methanol

cycloheptyl-(2,4,5-trimethoxyphenyl)methanol (PubChem CID 82932669) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is cycloheptyl-(2,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Namecycloheptyl-(2,4,5-trimethoxyphenyl)methanol
PubChem CID82932669
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namecycloheptyl-(2,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(OC)c(C(O)C2CCCCCC2)cc1OC
InChIInChI=1S/C17H26O4/c1-19-14-11-16(21-3)15(20-2)10-13(14)17(18)12-8-6-4-5-7-9-12/h10-12,17-18H,4-9H2,1-3H3
InChIKeyQGLIMAGJUPFYHE-UHFFFAOYSA-N
XLogP3.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
CID 61056380
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,4,5-trimethoxyphenyl)methanol?
The IUPAC name of cycloheptyl-(2,4,5-trimethoxyphenyl)methanol (CID 82932669) is cycloheptyl-(2,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for cycloheptyl-(2,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for cycloheptyl-(2,4,5-trimethoxyphenyl)methanol is COc1cc(OC)c(C(O)C2CCCCCC2)cc1OC.
What is the InChIKey of cycloheptyl-(2,4,5-trimethoxyphenyl)methanol?
The InChIKey is QGLIMAGJUPFYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-19-14-11-16(21-3)15(20-2)10-13(14)17(18)12-8-6-4-5-7-9-12/h10-12,17-18H,4-9H2,1-3H3.
What are the key properties of cycloheptyl-(2,4,5-trimethoxyphenyl)methanol?
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol has a molecular weight of 294.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 82932669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).