(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H24O2 — CID 104950467

IUPAC(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC1(CCCC(C)(C)C1)O2
InChIInChI=1S/C17H24O2/c1-12-5-6-15-13(9-12)14(18)10-17(19-15)8-4-7-16(2,3)11-17/h5-6,9,14,18H,4,7-8,10-11H2,1-3H3/t14-,17?/m1/s1
InChIKeySXXZOFHXGHSJAI-XPCCGILXSA-N
MW260.38 g/mol
LogP4.15
Rot. Bonds

About (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104950467) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104950467
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCc1ccc2c(c1)[C@H](O)CC1(CCCC(C)(C)C1)O2
InChIInChI=1S/C17H24O2/c1-12-5-6-15-13(9-12)14(18)10-17(19-15)8-4-7-16(2,3)11-17/h5-6,9,14,18H,4,7-8,10-11H2,1-3H3/t14-,17?/m1/s1
InChIKeySXXZOFHXGHSJAI-XPCCGILXSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715200
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
4'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715070
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104950590
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557

Frequently Asked Questions

What is the IUPAC name of (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104950467) is (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is Cc1ccc2c(c1)[C@H](O)CC1(CCCC(C)(C)C1)O2.
What is the InChIKey of (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is SXXZOFHXGHSJAI-XPCCGILXSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-5-6-15-13(9-12)14(18)10-17(19-15)8-4-7-16(2,3)11-17/h5-6,9,14,18H,4,7-8,10-11H2,1-3H3/t14-,17?/m1/s1.
What are the key properties of (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 260.38 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104950467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).