2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol

C16H24O3 — CID 114715453

IUPAC2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
SMILESCCCCC1(CC)CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H24O3/c1-4-6-9-16(5-2)11-14(17)13-10-12(18-3)7-8-15(13)19-16/h7-8,10,14,17H,4-6,9,11H2,1-3H3
InChIKeyNHPIUTCISCWDOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.85
Rot. Bonds5

About 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol

2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol (PubChem CID 114715453) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
PubChem CID114715453
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
SMILESCCCCC1(CC)CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C16H24O3/c1-4-6-9-16(5-2)11-14(17)13-10-12(18-3)7-8-15(13)19-16/h7-8,10,14,17H,4-6,9,11H2,1-3H3
InChIKeyNHPIUTCISCWDOU-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
N-butyl-2,2-diethyl-6-methoxy-3,4-dihydrochromen-4-amine
CID 82462581
(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
6-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114715563
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol?
The IUPAC name of 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol (CID 114715453) is 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol is CCCCC1(CC)CC(O)c2cc(OC)ccc2O1.
What is the InChIKey of 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol?
The InChIKey is NHPIUTCISCWDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-6-9-16(5-2)11-14(17)13-10-12(18-3)7-8-15(13)19-16/h7-8,10,14,17H,4-6,9,11H2,1-3H3.
What are the key properties of 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol?
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol has a molecular weight of 264.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114715453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).