1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol

C16H26O2 — CID 117379906

IUPAC1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CC(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-12,17H,9H2,1-6H3
InChIKeyISXTXBUNMILBGP-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol

1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol (PubChem CID 117379906) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
PubChem CID117379906
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CC(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-12,17H,9H2,1-6H3
InChIKeyISXTXBUNMILBGP-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
2-amino-3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 117381633
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)propan-2-ol
CID 117463259
O-[(2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117299206
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
CID 117379900
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol (CID 117379906) is 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol is COc1c(C(C)C)ccc(C(C)C)c1CC(C)O.
What is the InChIKey of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol?
The InChIKey is ISXTXBUNMILBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-10(2)13-7-8-14(11(3)4)16(18-6)15(13)9-12(5)17/h7-8,10-12,17H,9H2,1-6H3.
What are the key properties of 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol?
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117379906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).