2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

C16H22O3 — CID 114714890

IUPAC2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC(C)C1CC2(CCO1)CC(O)c1ccccc1O2
InChIInChI=1S/C16H22O3/c1-11(2)15-10-16(7-8-18-15)9-13(17)12-5-3-4-6-14(12)19-16/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyJCKCYOYUDJMRHS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.08
Rot. Bonds1

About 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (PubChem CID 114714890) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.

Molecular Properties

Compound Name2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
PubChem CID114714890
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC(C)C1CC2(CCO1)CC(O)c1ccccc1O2
InChIInChI=1S/C16H22O3/c1-11(2)15-10-16(7-8-18-15)9-13(17)12-5-3-4-6-14(12)19-16/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyJCKCYOYUDJMRHS-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949919
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712585
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
CID 104978954
CID 104978954
6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710536

Frequently Asked Questions

What is the IUPAC name of 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The IUPAC name of 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (CID 114714890) is 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.
What is the SMILES notation for 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The canonical SMILES for 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is CC(C)C1CC2(CCO1)CC(O)c1ccccc1O2.
What is the InChIKey of 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The InChIKey is JCKCYOYUDJMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)15-10-16(7-8-18-15)9-13(17)12-5-3-4-6-14(12)19-16/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol has a molecular weight of 262.35 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is sourced from PubChem (CID 114714890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).