(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol

C15H20O — CID 115483213

IUPAC(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
SMILESCC1CC[C@@H](O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h8-10,15-16H,2-7H2,1H3/t10?,15-/m1/s1
InChIKeyMZCDSPHQMBWXIQ-GENIYJEYSA-N
MW216.32 g/mol
LogP3.50
Rot. Bonds

About (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol

(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol (PubChem CID 115483213) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol.

Molecular Properties

Compound Name(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
PubChem CID115483213
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
SMILESCC1CC[C@@H](O)c2cc3c(cc21)CCCC3
InChIInChI=1S/C15H20O/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h8-10,15-16H,2-7H2,1H3/t10?,15-/m1/s1
InChIKeyMZCDSPHQMBWXIQ-GENIYJEYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol?
The IUPAC name of (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol (CID 115483213) is (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol.
What is the SMILES notation for (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol?
The canonical SMILES for (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol is CC1CC[C@@H](O)c2cc3c(cc21)CCCC3.
What is the InChIKey of (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol?
The InChIKey is MZCDSPHQMBWXIQ-GENIYJEYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h8-10,15-16H,2-7H2,1H3/t10?,15-/m1/s1.
What are the key properties of (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol?
(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol is sourced from PubChem (CID 115483213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).