(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol

C16H24O3 — CID 104948574

IUPAC(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(CCC(C)C)C[C@H]2O
InChIInChI=1S/C16H24O3/c1-11(2)7-8-16(3)10-14(17)13-6-5-12(18-4)9-15(13)19-16/h5-6,9,11,14,17H,7-8,10H2,1-4H3/t14-,16?/m1/s1
InChIKeyXQSWJIGRGKRSEX-IURRXHLWSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds4

About (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol

(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol (PubChem CID 104948574) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
PubChem CID104948574
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(CCC(C)C)C[C@H]2O
InChIInChI=1S/C16H24O3/c1-11(2)7-8-16(3)10-14(17)13-6-5-12(18-4)9-15(13)19-16/h5-6,9,11,14,17H,7-8,10H2,1-4H3/t14-,16?/m1/s1
InChIKeyXQSWJIGRGKRSEX-IURRXHLWSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 65365060

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol (CID 104948574) is (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol is COc1ccc2c(c1)OC(C)(CCC(C)C)C[C@H]2O.
What is the InChIKey of (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol?
The InChIKey is XQSWJIGRGKRSEX-IURRXHLWSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)7-8-16(3)10-14(17)13-6-5-12(18-4)9-15(13)19-16/h5-6,9,11,14,17H,7-8,10H2,1-4H3/t14-,16?/m1/s1.
What are the key properties of (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol?
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol has a molecular weight of 264.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104948574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).