2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol

C13H18O2 — CID 45269350

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCc2cc(CCO)ccc2O1
InChIInChI=1S/C13H18O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-4,9,14H,5-8H2,1-2H3
InChIKeyCGDNTMSTQFLMRW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.33
Rot. Bonds2

About 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol (PubChem CID 45269350) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
PubChem CID45269350
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCc2cc(CCO)ccc2O1
InChIInChI=1S/C13H18O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-4,9,14H,5-8H2,1-2H3
InChIKeyCGDNTMSTQFLMRW-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Delta-Tocopherol
CID 92094
Delta-Tocotrienol
CID 5282350
Tocotrienol
CID 9929901
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
Xanthydrol
CID 72861
2-(p-Nonylphenoxy)ethanol
CID 7700
4-Methoxyphenethyl alcohol
CID 69705
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
3-(4-Methoxyphenyl)-1-propanol
CID 79406
Deoxy-HU210
CID 9799540
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol (CID 45269350) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol is CC1(C)CCc2cc(CCO)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The InChIKey is CGDNTMSTQFLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol is sourced from PubChem (CID 45269350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).