4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol

C16H26O5 — CID 103028273

IUPAC4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)c(OC)c1OC
InChIInChI=1S/C16H26O5/c1-16(2,21-6)10-9-12(17)11-7-8-13(18-3)15(20-5)14(11)19-4/h7-8,12,17H,9-10H2,1-6H3
InChIKeyXWNXHBKYHWHZHF-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.95
Rot. Bonds8

About 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol

4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol (PubChem CID 103028273) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
PubChem CID103028273
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)c(OC)c1OC
InChIInChI=1S/C16H26O5/c1-16(2,21-6)10-9-12(17)11-7-8-13(18-3)15(20-5)14(11)19-4/h7-8,12,17H,9-10H2,1-6H3
InChIKeyXWNXHBKYHWHZHF-UHFFFAOYSA-N
XLogP2.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
(1R,3R)-3-amino-4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol;hydrochloride
CID 171237731
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035148
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol (CID 103028273) is 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol is COc1ccc(C(O)CCC(C)(C)OC)c(OC)c1OC.
What is the InChIKey of 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol?
The InChIKey is XWNXHBKYHWHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-16(2,21-6)10-9-12(17)11-7-8-13(18-3)15(20-5)14(11)19-4/h7-8,12,17H,9-10H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol?
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol has a molecular weight of 298.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 103028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).