1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol

C18H30O2 — CID 117446796

IUPAC1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1CC(C)O
InChIInChI=1S/C18H30O2/c1-13(19)10-14-11-15(8-9-16(14)20-7)18(5,6)12-17(2,3)4/h8-9,11,13,19H,10,12H2,1-7H3
InChIKeyDGQSBFLKVSRHIH-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol

1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol (PubChem CID 117446796) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
PubChem CID117446796
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
SMILESCOc1ccc(C(C)(C)CC(C)(C)C)cc1CC(C)O
InChIInChI=1S/C18H30O2/c1-13(19)10-14-11-15(8-9-16(14)20-7)18(5,6)12-17(2,3)4/h8-9,11,13,19H,10,12H2,1-7H3
InChIKeyDGQSBFLKVSRHIH-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine;hydrochloride
CID 170890567
O-[2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]hydroxylamine
CID 117448513
4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-2-(methylamino)ethanol
CID 117473718
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-[2-propoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-2-amine
CID 170890591
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 117398962
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol (CID 117446796) is 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol is COc1ccc(C(C)(C)CC(C)(C)C)cc1CC(C)O.
What is the InChIKey of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol?
The InChIKey is DGQSBFLKVSRHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-13(19)10-14-11-15(8-9-16(14)20-7)18(5,6)12-17(2,3)4/h8-9,11,13,19H,10,12H2,1-7H3.
What are the key properties of 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol?
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117446796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).