3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol

C17H22O3 — CID 161002126

IUPAC3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
SMILESCc1cccc(CCO)c1.OCCc1cccc(O)c1
InChIInChI=1S/C9H12O.C8H10O2/c1-8-3-2-4-9(7-8)5-6-10;9-5-4-7-2-1-3-8(10)6-7/h2-4,7,10H,5-6H2,1H3;1-3,6,9-10H,4-5H2
InChIKeyTWAFKDOODXKXOQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol

3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol (PubChem CID 161002126) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
PubChem CID161002126
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
SMILESCc1cccc(CCO)c1.OCCc1cccc(O)c1
InChIInChI=1S/C9H12O.C8H10O2/c1-8-3-2-4-9(7-8)5-6-10;9-5-4-7-2-1-3-8(10)6-7/h2-4,7,10H,5-6H2,1H3;1-3,6,9-10H,4-5H2
InChIKeyTWAFKDOODXKXOQ-UHFFFAOYSA-N
XLogP2.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-methylphenol
CID 67925627
3-(4-hydroxybutyl)phenol
CID 19991537
sodium 3-methylphenol
CID 21278687
3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
CID 70293385
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
carbanide;3-methylphenol;yttrium
CID 161376652
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
2-(3-methylphenyl)ethanolate
CID 142208639
phenol;3-propylphenol
CID 66960022

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol?
The IUPAC name of 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol (CID 161002126) is 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol.
What is the SMILES notation for 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol?
The canonical SMILES for 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol is Cc1cccc(CCO)c1.OCCc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol?
The InChIKey is TWAFKDOODXKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H10O2/c1-8-3-2-4-9(7-8)5-6-10;9-5-4-7-2-1-3-8(10)6-7/h2-4,7,10H,5-6H2,1H3;1-3,6,9-10H,4-5H2.
What are the key properties of 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol?
3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol is sourced from PubChem (CID 161002126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).