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

C17H24O2 — CID 104950010

IUPAC(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
SMILESCC1CC(C)(C)CC2(C1)C[C@@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12-8-16(2,3)11-17(9-12)10-14(18)13-6-4-5-7-15(13)19-17/h4-7,12,14,18H,8-11H2,1-3H3/t12?,14-,17?/m1/s1
InChIKeyHNIBEEMBRHBMJP-KDJCLPLCSA-N
MW260.38 g/mol
LogP4.09
Rot. Bonds

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

(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol (PubChem CID 104950010) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
PubChem CID104950010
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
SMILESCC1CC(C)(C)CC2(C1)C[C@@H](O)c1ccccc1O2
InChIInChI=1S/C17H24O2/c1-12-8-16(2,3)11-17(9-12)10-14(18)13-6-4-5-7-15(13)19-17/h4-7,12,14,18H,8-11H2,1-3H3/t12?,14-,17?/m1/s1
InChIKeyHNIBEEMBRHBMJP-KDJCLPLCSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
CID 104978954
CID 104978954
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
(4R)-7-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104951762
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
CID 104950092

Frequently Asked Questions

What is the IUPAC name of (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The IUPAC name of (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol (CID 104950010) is (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol.
What is the SMILES notation for (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The canonical SMILES for (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol is CC1CC(C)(C)CC2(C1)C[C@@H](O)c1ccccc1O2.
What is the InChIKey of (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
The InChIKey is HNIBEEMBRHBMJP-KDJCLPLCSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-16(2,3)11-17(9-12)10-14(18)13-6-4-5-7-15(13)19-17/h4-7,12,14,18H,8-11H2,1-3H3/t12?,14-,17?/m1/s1.
What are the key properties of (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol?
(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol has a molecular weight of 260.38 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol is sourced from PubChem (CID 104950010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).