(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H24O2 — CID 104949913

IUPAC(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCC2(CC1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12(2)13-7-9-17(10-8-13)11-15(18)14-5-3-4-6-16(14)19-17/h3-6,12-13,15,18H,7-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyFNNRLFQSCKASHR-GULBITTBSA-N
MW260.38 g/mol
LogP4.09
Rot. Bonds1

About (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104949913) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104949913
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCC2(CC1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12(2)13-7-9-17(10-8-13)11-15(18)14-5-3-4-6-16(14)19-17/h3-6,12-13,15,18H,7-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyFNNRLFQSCKASHR-GULBITTBSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104949913) is (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC(C)C1CCC2(CC1)C[C@H](O)c1ccccc1O2.
What is the InChIKey of (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is FNNRLFQSCKASHR-GULBITTBSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)13-7-9-17(10-8-13)11-15(18)14-5-3-4-6-16(14)19-17/h3-6,12-13,15,18H,7-11H2,1-2H3/t13?,15-,17?/m0/s1.
What are the key properties of (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 260.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).