(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol

C15H20O — CID 115483216

IUPAC(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
SMILESO[C@H]1CCCCc2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c16-15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)15/h9-10,15-16H,1-8H2/t15-/m0/s1
InChIKeySZFFEPLKOQPXET-HNNXBMFYSA-N
MW216.32 g/mol
LogP3.33
Rot. Bonds

About (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol

(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol (PubChem CID 115483216) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol.

Molecular Properties

Compound Name(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
PubChem CID115483216
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
SMILESO[C@H]1CCCCc2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c16-15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)15/h9-10,15-16H,1-8H2/t15-/m0/s1
InChIKeySZFFEPLKOQPXET-HNNXBMFYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol with MolForge

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Related Compounds

3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
CID 62736373
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
CID 115483213
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
(5S)-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483234
8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483235
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
CID 58581351
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037

Frequently Asked Questions

What is the IUPAC name of (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol?
The IUPAC name of (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol (CID 115483216) is (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol.
What is the SMILES notation for (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol?
The canonical SMILES for (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol is O[C@H]1CCCCc2cc3c(cc21)CCCC3.
What is the InChIKey of (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol?
The InChIKey is SZFFEPLKOQPXET-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O/c16-15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)15/h9-10,15-16H,1-8H2/t15-/m0/s1.
What are the key properties of (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol?
(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol has a molecular weight of 216.32 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol is sourced from PubChem (CID 115483216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).