(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C19H26O2 — CID 79970798

IUPAC(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(C2CC2)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H26O2/c20-18(16-7-5-15(6-8-16)14-3-4-14)17-9-12-21-19(13-17)10-1-2-11-19/h5-8,14,17-18,20H,1-4,9-13H2
InChIKeyCJVKAOPCCJLQNX-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.34
Rot. Bonds3

About (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79970798) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79970798
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1ccc(C2CC2)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H26O2/c20-18(16-7-5-15(6-8-16)14-3-4-14)17-9-12-21-19(13-17)10-1-2-11-19/h5-8,14,17-18,20H,1-4,9-13H2
InChIKeyCJVKAOPCCJLQNX-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(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

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79970798) is (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1ccc(C2CC2)cc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is CJVKAOPCCJLQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-18(16-7-5-15(6-8-16)14-3-4-14)17-9-12-21-19(13-17)10-1-2-11-19/h5-8,14,17-18,20H,1-4,9-13H2.
What are the key properties of (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 286.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79970798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).