7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol

C16H22O2 — CID 70639080

IUPAC7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
SMILESCC=CCc1cc2c(cc1O)C(C)CC(C)(C)O2
InChIInChI=1S/C16H22O2/c1-5-6-7-12-8-15-13(9-14(12)17)11(2)10-16(3,4)18-15/h5-6,8-9,11,17H,7,10H2,1-4H3
InChIKeyHROUKSOEJISEFC-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.18
Rot. Bonds2

About 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol

7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol (PubChem CID 70639080) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
PubChem CID70639080
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
SMILESCC=CCc1cc2c(cc1O)C(C)CC(C)(C)O2
InChIInChI=1S/C16H22O2/c1-5-6-7-12-8-15-13(9-14(12)17)11(2)10-16(3,4)18-15/h5-6,8-9,11,17H,7,10H2,1-4H3
InChIKeyHROUKSOEJISEFC-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol (CID 70639080) is 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol is CC=CCc1cc2c(cc1O)C(C)CC(C)(C)O2.
What is the InChIKey of 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is HROUKSOEJISEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-6-7-12-8-15-13(9-14(12)17)11(2)10-16(3,4)18-15/h5-6,8-9,11,17H,7,10H2,1-4H3.
What are the key properties of 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol?
7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 246.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 70639080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).