(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol

C17H24O — CID 114229957

IUPAC(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol
SMILESCC1(C)C(CO)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H24O/c1-16(2)15(12-18)17(16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3
InChIKeyNYDCKCZYOIESJK-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.98
Rot. Bonds2

About (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol

(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol (PubChem CID 114229957) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol
PubChem CID114229957
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol
SMILESCC1(C)C(CO)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C17H24O/c1-16(2)15(12-18)17(16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3
InChIKeyNYDCKCZYOIESJK-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol?
The IUPAC name of (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol (CID 114229957) is (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol?
The canonical SMILES for (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol is CC1(C)C(CO)C12CCC(c1ccccc1)CC2.
What is the InChIKey of (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol?
The InChIKey is NYDCKCZYOIESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)15(12-18)17(16)10-8-14(9-11-17)13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3.
What are the key properties of (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol?
(2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol has a molecular weight of 244.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-6-phenylspiro[2.5]octan-1-yl)methanol is sourced from PubChem (CID 114229957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).