2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol

C14H20O2 — CID 118325055

IUPAC2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(C)CC2
InChIInChI=1S/C14H20O2/c1-4-5-10-8-12(15)11-6-7-14(2,3)16-13(11)9-10/h8-9,15H,4-7H2,1-3H3
InChIKeyYVGFJIKWCMZZAS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.45
Rot. Bonds2

About 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol

2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol (PubChem CID 118325055) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
PubChem CID118325055
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
SMILESCCCc1cc(O)c2c(c1)OC(C)(C)CC2
InChIInChI=1S/C14H20O2/c1-4-5-10-8-12(15)11-6-7-14(2,3)16-13(11)9-10/h8-9,15H,4-7H2,1-3H3
InChIKeyYVGFJIKWCMZZAS-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol?
The IUPAC name of 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol (CID 118325055) is 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol.
What is the SMILES notation for 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol?
The canonical SMILES for 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol is CCCc1cc(O)c2c(c1)OC(C)(C)CC2.
What is the InChIKey of 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol?
The InChIKey is YVGFJIKWCMZZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-10-8-12(15)11-6-7-14(2,3)16-13(11)9-10/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol?
2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol has a molecular weight of 220.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol is sourced from PubChem (CID 118325055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).