(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol

C14H19BrO2 — CID 138473053

IUPAC(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol
SMILESCc1c(C)c2c(c(C)c1Br)CCC(C)(CO)O2
InChIInChI=1S/C14H19BrO2/c1-8-9(2)13-11(10(3)12(8)15)5-6-14(4,7-16)17-13/h16H,5-7H2,1-4H3
InChIKeyFPAVHIBLBCFNPB-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.45
Rot. Bonds1

About (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol

(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol (PubChem CID 138473053) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol
PubChem CID138473053
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol
SMILESCc1c(C)c2c(c(C)c1Br)CCC(C)(CO)O2
InChIInChI=1S/C14H19BrO2/c1-8-9(2)13-11(10(3)12(8)15)5-6-14(4,7-16)17-13/h16H,5-7H2,1-4H3
InChIKeyFPAVHIBLBCFNPB-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol?
The IUPAC name of (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol (CID 138473053) is (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol.
What is the SMILES notation for (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol?
The canonical SMILES for (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol is Cc1c(C)c2c(c(C)c1Br)CCC(C)(CO)O2.
What is the InChIKey of (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol?
The InChIKey is FPAVHIBLBCFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-8-9(2)13-11(10(3)12(8)15)5-6-14(4,7-16)17-13/h16H,5-7H2,1-4H3.
What are the key properties of (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol?
(6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol has a molecular weight of 299.21 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanol is sourced from PubChem (CID 138473053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).