(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C18H26O2 — CID 79913941

IUPAC(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cccc(C(O)C2CCOC3(CCCC3)C2)c1C
InChIInChI=1S/C18H26O2/c1-13-6-5-7-16(14(13)2)17(19)15-8-11-20-18(12-15)9-3-4-10-18/h5-7,15,17,19H,3-4,8-12H2,1-2H3
InChIKeyMYYPKDVOXJCKML-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.08
Rot. Bonds2

About (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79913941) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79913941
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cccc(C(O)C2CCOC3(CCCC3)C2)c1C
InChIInChI=1S/C18H26O2/c1-13-6-5-7-16(14(13)2)17(19)15-8-11-20-18(12-15)9-3-4-10-18/h5-7,15,17,19H,3-4,8-12H2,1-2H3
InChIKeyMYYPKDVOXJCKML-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363
(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79901527
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79913941) is (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is Cc1cccc(C(O)C2CCOC3(CCCC3)C2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is MYYPKDVOXJCKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-6-5-7-16(14(13)2)17(19)15-8-11-20-18(12-15)9-3-4-10-18/h5-7,15,17,19H,3-4,8-12H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 274.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79913941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).