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

C13H18O2 — CID 67687808

IUPAC2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCOc2ccc(CCO)cc21
InChIInChI=1S/C13H18O2/c1-13(2)6-8-15-12-4-3-10(5-7-14)9-11(12)13/h3-4,9,14H,5-8H2,1-2H3
InChIKeyOKBKSCXOYAOMQD-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.28
Rot. Bonds2

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

2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol (PubChem CID 67687808) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol
PubChem CID67687808
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCOc2ccc(CCO)cc21
InChIInChI=1S/C13H18O2/c1-13(2)6-8-15-12-4-3-10(5-7-14)9-11(12)13/h3-4,9,14H,5-8H2,1-2H3
InChIKeyOKBKSCXOYAOMQD-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol?
The IUPAC name of 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol (CID 67687808) is 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol.
What is the SMILES notation for 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol?
The canonical SMILES for 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol is CC1(C)CCOc2ccc(CCO)cc21.
What is the InChIKey of 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol?
The InChIKey is OKBKSCXOYAOMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)6-8-15-12-4-3-10(5-7-14)9-11(12)13/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol?
2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)ethanol is sourced from PubChem (CID 67687808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).