5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol

C16H18O2 — CID 138664749

IUPAC5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
SMILESCc1ccc(CCc2ccc(C)c(O)c2)cc1O
InChIInChI=1S/C16H18O2/c1-11-3-5-13(9-15(11)17)7-8-14-6-4-12(2)16(18)10-14/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyINHDAGVKRMWUJB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.50
Rot. Bonds3

About 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol

5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol (PubChem CID 138664749) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol.

Molecular Properties

Compound Name5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
PubChem CID138664749
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
SMILESCc1ccc(CCc2ccc(C)c(O)c2)cc1O
InChIInChI=1S/C16H18O2/c1-11-3-5-13(9-15(11)17)7-8-14-6-4-12(2)16(18)10-14/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyINHDAGVKRMWUJB-UHFFFAOYSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
CID 175900742
CID 175900742
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
5-[(4-ethylphenyl)methyl]-2-methylphenol
CID 54074755
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
5-(2-hydroxy-3-methylbutyl)-2-methylphenol
CID 129174198
2-methyl-5-nonylphenol;3-nonylphenol
CID 19003711
13-(3-hydroxy-4-methylphenyl)-10-oxotridecanoic acid
CID 158929956
2-[(3-hydroxy-4-methylphenyl)methyl]-6-methylphenol
CID 66843449

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol?
The IUPAC name of 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol (CID 138664749) is 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol.
What is the SMILES notation for 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol?
The canonical SMILES for 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol is Cc1ccc(CCc2ccc(C)c(O)c2)cc1O.
What is the InChIKey of 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol?
The InChIKey is INHDAGVKRMWUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11-3-5-13(9-15(11)17)7-8-14-6-4-12(2)16(18)10-14/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol?
5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol has a molecular weight of 242.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol is sourced from PubChem (CID 138664749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).