(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C18H26O2 — CID 79912699

IUPAC(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1C
InChIInChI=1S/C18H26O2/c1-13-5-6-15(11-14(13)2)17(19)16-7-10-20-18(12-16)8-3-4-9-18/h5-6,11,16-17,19H,3-4,7-10,12H2,1-2H3
InChIKeyFDIQKZLJJOMUGU-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.08
Rot. Bonds2

About (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79912699) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79912699
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1C
InChIInChI=1S/C18H26O2/c1-13-5-6-15(11-14(13)2)17(19)16-7-10-20-18(12-16)8-3-4-9-18/h5-6,11,16-17,19H,3-4,7-10,12H2,1-2H3
InChIKeyFDIQKZLJJOMUGU-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

(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79970798

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79912699) is (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is Cc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is FDIQKZLJJOMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-5-6-15(11-14(13)2)17(19)16-7-10-20-18(12-16)8-3-4-9-18/h5-6,11,16-17,19H,3-4,7-10,12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3,4-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 (3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79912699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).