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

C17H24O2 — CID 107450789

IUPAC(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(C1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12(2)13-6-5-9-17(10-13)11-15(18)14-7-3-4-8-16(14)19-17/h3-4,7-8,12-13,15,18H,5-6,9-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyYAHAYXJTPBRJPV-GULBITTBSA-N
MW260.38 g/mol
LogP4.09
Rot. Bonds1

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

(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 107450789) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID107450789
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(C1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12(2)13-6-5-9-17(10-13)11-15(18)14-7-3-4-8-16(14)19-17/h3-4,7-8,12-13,15,18H,5-6,9-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyYAHAYXJTPBRJPV-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

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

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Related Compounds

(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4R)-7-fluoro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450797
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950101
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712137
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
(4S)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949601
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
CID 104978954
CID 104978954

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 107450789) is (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC(C)C1CCCC2(C1)C[C@H](O)c1ccccc1O2.
What is the InChIKey of (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is YAHAYXJTPBRJPV-GULBITTBSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)13-6-5-9-17(10-13)11-15(18)14-7-3-4-8-16(14)19-17/h3-4,7-8,12-13,15,18H,5-6,9-11H2,1-2H3/t13?,15-,17?/m0/s1.
What are the key properties of (4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-3'-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)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 107450789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).