(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid

C14H18O4 — CID 129394553

IUPAC(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C14H18O4/c1-14(2)7-6-9-8-10(4-5-11(9)18-14)12(17-3)13(15)16/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyZDVPQYZIJVOXMN-GFCCVEGCSA-N
MW250.29 g/mol
LogP2.56
Rot. Bonds3

About (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid

(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid (PubChem CID 129394553) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid
PubChem CID129394553
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid
SMILESCO[C@@H](C(=O)O)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C14H18O4/c1-14(2)7-6-9-8-10(4-5-11(9)18-14)12(17-3)13(15)16/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)/t12-/m1/s1
InChIKeyZDVPQYZIJVOXMN-GFCCVEGCSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
CID 117097127
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
CID 42129765
2-amino-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propanoic acid
CID 117376321
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxyacetic acid
CID 116769366
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propanoic acid
CID 117376382
methyl (E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enoate
CID 44584092
2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
CID 139221686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid?
The IUPAC name of (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid (CID 129394553) is (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid.
What is the SMILES notation for (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid?
The canonical SMILES for (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid is CO[C@@H](C(=O)O)c1ccc2c(c1)CCC(C)(C)O2.
What is the InChIKey of (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid?
The InChIKey is ZDVPQYZIJVOXMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(2)7-6-9-8-10(4-5-11(9)18-14)12(17-3)13(15)16/h4-5,8,12H,6-7H2,1-3H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid?
(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid is sourced from PubChem (CID 129394553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).