(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol

C15H20O2 — CID 135009450

IUPAC(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol
SMILESCc1ccc2c(c1)[C@@]1(CO2)[C@H](O)CCC1(C)C
InChIInChI=1S/C15H20O2/c1-10-4-5-12-11(8-10)15(9-17-12)13(16)6-7-14(15,2)3/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyQJJMDXSOUZPAIP-HIFRSBDPSA-N
MW232.32 g/mol
LogP2.81
Rot. Bonds

About (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol

(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol (PubChem CID 135009450) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol.

Molecular Properties

Compound Name(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol
PubChem CID135009450
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol
SMILESCc1ccc2c(c1)[C@@]1(CO2)[C@H](O)CCC1(C)C
InChIInChI=1S/C15H20O2/c1-10-4-5-12-11(8-10)15(9-17-12)13(16)6-7-14(15,2)3/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyQJJMDXSOUZPAIP-HIFRSBDPSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol with MolForge

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Related Compounds

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3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561837
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CID 11096080
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CID 16723715
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CID 135067648
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CID 79332087
4-methyl-2-(2,4,4,6-tetramethyl-3H-chromen-2-yl)phenol
CID 10891786
(3S)-2',2',5-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-2-one
CID 101227138
2-(3,6-dimethyl-2H-1-benzofuran-3-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol?
The IUPAC name of (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol (CID 135009450) is (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol.
What is the SMILES notation for (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol?
The canonical SMILES for (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol is Cc1ccc2c(c1)[C@@]1(CO2)[C@H](O)CCC1(C)C.
What is the InChIKey of (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol?
The InChIKey is QJJMDXSOUZPAIP-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-5-12-11(8-10)15(9-17-12)13(16)6-7-14(15,2)3/h4-5,8,13,16H,6-7,9H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol?
(1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol has a molecular weight of 232.32 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3S)-3',3',5-trimethylspiro[2H-1-benzofuran-3,2'-cyclopentane]-1'-ol is sourced from PubChem (CID 135009450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).