1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol

C14H22O2 — CID 62161527

IUPAC1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(C)cc1CC(O)CC(C)C
InChIInChI=1S/C14H22O2/c1-10(2)7-13(15)9-12-8-11(3)5-6-14(12)16-4/h5-6,8,10,13,15H,7,9H2,1-4H3
InChIKeyXOTJVEUNJFTTFX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol

1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol (PubChem CID 62161527) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
PubChem CID62161527
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
SMILESCOc1ccc(C)cc1CC(O)CC(C)C
InChIInChI=1S/C14H22O2/c1-10(2)7-13(15)9-12-8-11(3)5-6-14(12)16-4/h5-6,8,10,13,15H,7,9H2,1-4H3
InChIKeyXOTJVEUNJFTTFX-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
2-[2-(chloromethyl)-4-methylpentyl]-1-methoxy-4-methylbenzene
CID 66035867
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol (CID 62161527) is 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol is COc1ccc(C)cc1CC(O)CC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol?
The InChIKey is XOTJVEUNJFTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)7-13(15)9-12-8-11(3)5-6-14(12)16-4/h5-6,8,10,13,15H,7,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol?
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.95, 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-methylphenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 62161527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).