(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

C16H21ClO3 — CID 115823308

IUPAC(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(Cl)cc(C(O)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H21ClO3/c1-11-6-13(8-14(17)7-11)15(18)12-2-4-20-16(9-12)3-5-19-10-16/h6-8,12,15,18H,2-5,9-10H2,1H3
InChIKeyDHLXTXCFDAZWSR-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.27
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 115823308) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID115823308
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(Cl)cc(C(O)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H21ClO3/c1-11-6-13(8-14(17)7-11)15(18)12-2-4-20-16(9-12)3-5-19-10-16/h6-8,12,15,18H,2-5,9-10H2,1H3
InChIKeyDHLXTXCFDAZWSR-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol with MolForge

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Related Compounds

(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
CID 115820856
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 107503040
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 115823308) is (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is Cc1cc(Cl)cc(C(O)C2CCOC3(CCOC3)C2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is DHLXTXCFDAZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-11-6-13(8-14(17)7-11)15(18)12-2-4-20-16(9-12)3-5-19-10-16/h6-8,12,15,18H,2-5,9-10H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 296.79 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 115823308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).