(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

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Related Compounds

2-(1-methyl-4-phenylcyclohexyl)acetic acid
CID 169408960
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
6-phenylspiro[2.5]octane
CID 123640963
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
(1-anilino-4-phenylcyclohexyl)methanol
CID 61046248
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
benzene;cyclopropylbenzene
CID 144638417
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861
1-(2-aminoethyl)-4-phenylcyclohexan-1-ol
CID 79127234
2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
CID 65235269
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976

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).