(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H21ClO2 — CID 79899476

IUPAC(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(Cl)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21ClO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11H2
InChIKeyOSRPKTNGMIVJPN-UHFFFAOYSA-N
MW280.79 g/mol
LogP4.11
Rot. Bonds2

About (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79899476) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79899476
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESOC(c1cccc(Cl)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21ClO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11H2
InChIKeyOSRPKTNGMIVJPN-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79902054
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79899476) is (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is OC(c1cccc(Cl)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is OSRPKTNGMIVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c17-14-5-3-4-12(10-14)15(18)13-6-9-19-16(11-13)7-1-2-8-16/h3-5,10,13,15,18H,1-2,6-9,11H2.
What are the key properties of (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 280.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79899476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).