2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol

C14H20O2 — CID 114715147

IUPAC2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
SMILESCCCC1(C)CC(O)c2cc(C)ccc2O1
InChIInChI=1S/C14H20O2/c1-4-7-14(3)9-12(15)11-8-10(2)5-6-13(11)16-14/h5-6,8,12,15H,4,7,9H2,1-3H3
InChIKeyATBPZZBIGSCXAD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds2

About 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol

2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol (PubChem CID 114715147) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
PubChem CID114715147
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
SMILESCCCC1(C)CC(O)c2cc(C)ccc2O1
InChIInChI=1S/C14H20O2/c1-4-7-14(3)9-12(15)11-8-10(2)5-6-13(11)16-14/h5-6,8,12,15H,4,7,9H2,1-3H3
InChIKeyATBPZZBIGSCXAD-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632
(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
CID 104950386
(4S)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949004
6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
CID 114714538
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104950454
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
CID 155554322
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950510
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol (CID 114715147) is 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol is CCCC1(C)CC(O)c2cc(C)ccc2O1.
What is the InChIKey of 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol?
The InChIKey is ATBPZZBIGSCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-7-14(3)9-12(15)11-8-10(2)5-6-13(11)16-14/h5-6,8,12,15H,4,7,9H2,1-3H3.
What are the key properties of 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol?
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol has a molecular weight of 220.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114715147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).