(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol

C18H25FO2 — CID 104951762

IUPAC(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
SMILESCC1(C)CC(C)(C)CC2(C[C@@H](O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C18H25FO2/c1-16(2)9-17(3,4)11-18(10-16)8-14(20)13-6-5-12(19)7-15(13)21-18/h5-7,14,20H,8-11H2,1-4H3/t14-/m1/s1
InChIKeyVCDMRIIUDVXCBS-CQSZACIVSA-N
MW292.39 g/mol
LogP4.62
Rot. Bonds

About (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol

(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol (PubChem CID 104951762) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
PubChem CID104951762
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
SMILESCC1(C)CC(C)(C)CC2(C[C@@H](O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C18H25FO2/c1-16(2)9-17(3,4)11-18(10-16)8-14(20)13-6-5-12(19)7-15(13)21-18/h5-7,14,20H,8-11H2,1-4H3/t14-/m1/s1
InChIKeyVCDMRIIUDVXCBS-CQSZACIVSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The IUPAC name of (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol (CID 104951762) is (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol is CC1(C)CC(C)(C)CC2(C[C@@H](O)c3ccc(F)cc3O2)C1.
What is the InChIKey of (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The InChIKey is VCDMRIIUDVXCBS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25FO2/c1-16(2)9-17(3,4)11-18(10-16)8-14(20)13-6-5-12(19)7-15(13)21-18/h5-7,14,20H,8-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol has a molecular weight of 292.39 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol is sourced from PubChem (CID 104951762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).