2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid

C18H26O3 — CID 150960927

IUPAC2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1c(C(C)C)cc(C(C)C)c2c1OC(C)(C(=O)O)CC2
InChIInChI=1S/C18H26O3/c1-10(2)14-9-15(11(3)4)13-7-8-18(6,17(19)20)21-16(13)12(14)5/h9-11H,7-8H2,1-6H3,(H,19,20)
InChIKeyLMBNUGATMBZGGP-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.41
Rot. Bonds3

About 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid

2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 150960927) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid
PubChem CID150960927
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid
SMILESCc1c(C(C)C)cc(C(C)C)c2c1OC(C)(C(=O)O)CC2
InChIInChI=1S/C18H26O3/c1-10(2)14-9-15(11(3)4)13-7-8-18(6,17(19)20)21-16(13)12(14)5/h9-11H,7-8H2,1-6H3,(H,19,20)
InChIKeyLMBNUGATMBZGGP-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid?
The IUPAC name of 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid (CID 150960927) is 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid is Cc1c(C(C)C)cc(C(C)C)c2c1OC(C)(C(=O)O)CC2.
What is the InChIKey of 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid?
The InChIKey is LMBNUGATMBZGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-10(2)14-9-15(11(3)4)13-7-8-18(6,17(19)20)21-16(13)12(14)5/h9-11H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid?
2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,7-di(propan-2-yl)-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 150960927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).