(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

C16H22O3 — CID 104949919

IUPAC(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCCCC1CC2(CCO1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C16H22O3/c1-2-5-12-10-16(8-9-18-12)11-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3/t12?,14-,16?/m0/s1
InChIKeyOFHLAQMBHPJURB-UGWHAMFMSA-N
MW262.35 g/mol
LogP3.22
Rot. Bonds2

About (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (PubChem CID 104949919) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.

Molecular Properties

Compound Name(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
PubChem CID104949919
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCCCC1CC2(CCO1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C16H22O3/c1-2-5-12-10-16(8-9-18-12)11-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3/t12?,14-,16?/m0/s1
InChIKeyOFHLAQMBHPJURB-UGWHAMFMSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The IUPAC name of (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (CID 104949919) is (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.
What is the SMILES notation for (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The canonical SMILES for (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is CCCC1CC2(CCO1)C[C@H](O)c1ccccc1O2.
What is the InChIKey of (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The InChIKey is OFHLAQMBHPJURB-UGWHAMFMSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-5-12-10-16(8-9-18-12)11-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,12,14,17H,2,5,8-11H2,1H3/t12?,14-,16?/m0/s1.
What are the key properties of (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol has a molecular weight of 262.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is sourced from PubChem (CID 104949919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).