2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol

C14H20O2 — CID 84685961

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
SMILESCC1(C)CCc2ccc(C(C)(C)O)cc2O1
InChIInChI=1S/C14H20O2/c1-13(2)8-7-10-5-6-11(14(3,4)15)9-12(10)16-13/h5-6,9,15H,7-8H2,1-4H3
InChIKeySOIBCDHWDGSHPP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.02
Rot. Bonds1

About 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol

2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol (PubChem CID 84685961) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
PubChem CID84685961
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
SMILESCC1(C)CCc2ccc(C(C)(C)O)cc2O1
InChIInChI=1S/C14H20O2/c1-13(2)8-7-10-5-6-11(14(3,4)15)9-12(10)16-13/h5-6,9,15H,7-8H2,1-4H3
InChIKeySOIBCDHWDGSHPP-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol (CID 84685961) is 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol is CC1(C)CCc2ccc(C(C)(C)O)cc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol?
The InChIKey is SOIBCDHWDGSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-13(2)8-7-10-5-6-11(14(3,4)15)9-12(10)16-13/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol?
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.02, 1 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-7-yl)propan-2-ol is sourced from PubChem (CID 84685961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).