2-methyl-5-(propan-2-yloxymethyl)phenol

C11H16O2 — CID 117222042

IUPAC2-methyl-5-(propan-2-yloxymethyl)phenol
SMILESCc1ccc(COC(C)C)cc1O
InChIInChI=1S/C11H16O2/c1-8(2)13-7-10-5-4-9(3)11(12)6-10/h4-6,8,12H,7H2,1-3H3
InChIKeyFKGDQIQQPZZZSM-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-5-(propan-2-yloxymethyl)phenol

2-methyl-5-(propan-2-yloxymethyl)phenol (PubChem CID 117222042) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-yloxymethyl)phenol.

Molecular Properties

Compound Name2-methyl-5-(propan-2-yloxymethyl)phenol
PubChem CID117222042
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-methyl-5-(propan-2-yloxymethyl)phenol
SMILESCc1ccc(COC(C)C)cc1O
InChIInChI=1S/C11H16O2/c1-8(2)13-7-10-5-4-9(3)11(12)6-10/h4-6,8,12H,7H2,1-3H3
InChIKeyFKGDQIQQPZZZSM-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(propan-2-yloxymethyl)benzoic acid
CID 83884862
2-methyl-5-(propan-2-yloxymethyl)benzoic acid
CID 117222052
5-(2-hydroxy-3-methylbutyl)-2-methylphenol
CID 129174198
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
2,7-bis(propan-2-yloxymethyl)anthracene
CID 176781411
1-[2,4-bis(propan-2-yloxymethyl)phenyl]-2,4-bis(propan-2-yloxymethyl)benzene
CID 139792803
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)phenol?
The IUPAC name of 2-methyl-5-(propan-2-yloxymethyl)phenol (CID 117222042) is 2-methyl-5-(propan-2-yloxymethyl)phenol.
What is the SMILES notation for 2-methyl-5-(propan-2-yloxymethyl)phenol?
The canonical SMILES for 2-methyl-5-(propan-2-yloxymethyl)phenol is Cc1ccc(COC(C)C)cc1O.
What is the InChIKey of 2-methyl-5-(propan-2-yloxymethyl)phenol?
The InChIKey is FKGDQIQQPZZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)13-7-10-5-4-9(3)11(12)6-10/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-methyl-5-(propan-2-yloxymethyl)phenol?
2-methyl-5-(propan-2-yloxymethyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-yloxymethyl)phenol is sourced from PubChem (CID 117222042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).