(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol

C15H20O — CID 175705995

IUPAC(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol
SMILESOC1CCC[C@@]2(CCc3ccccc3C2)C1
InChIInChI=1S/C15H20O/c16-14-6-3-8-15(11-14)9-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,14,16H,3,6-11H2/t14?,15-/m0/s1
InChIKeyITHUSXKROXWOAR-LOACHALJSA-N
MW216.32 g/mol
LogP3.10
Rot. Bonds

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

(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol (PubChem CID 175705995) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol.

Molecular Properties

Compound Name(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol
PubChem CID175705995
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol
SMILESOC1CCC[C@@]2(CCc3ccccc3C2)C1
InChIInChI=1S/C15H20O/c16-14-6-3-8-15(11-14)9-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,14,16H,3,6-11H2/t14?,15-/m0/s1
InChIKeyITHUSXKROXWOAR-LOACHALJSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol?
The IUPAC name of (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol (CID 175705995) is (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol.
What is the SMILES notation for (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol?
The canonical SMILES for (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol is OC1CCC[C@@]2(CCc3ccccc3C2)C1.
What is the InChIKey of (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol?
The InChIKey is ITHUSXKROXWOAR-LOACHALJSA-N. The full InChI is InChI=1S/C15H20O/c16-14-6-3-8-15(11-14)9-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,14,16H,3,6-11H2/t14?,15-/m0/s1.
What are the key properties of (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol?
(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol has a molecular weight of 216.32 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol is sourced from PubChem (CID 175705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).