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

C14H18O2 — CID 104949961

IUPAC(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H18O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12,15H,1,4-5,8-10H2/t12-/m0/s1
InChIKeyRYXHBYZYHRDWSN-LBPRGKRZSA-N
MW218.30 g/mol
LogP3.21
Rot. Bonds

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

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104949961) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104949961
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESO[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H18O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12,15H,1,4-5,8-10H2/t12-/m0/s1
InChIKeyRYXHBYZYHRDWSN-LBPRGKRZSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

CID 104978954
CID 104978954
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
CID 104950092
(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950101
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996

Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104949961) is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is O[C@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is RYXHBYZYHRDWSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12,15H,1,4-5,8-10H2/t12-/m0/s1.
What are the key properties of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 218.30 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104949961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).