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

C16H21ClO3 — CID 115823322

IUPAC(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOC3)C2)ccc1Cl
InChIInChI=1S/C16H21ClO3/c1-11-8-12(2-3-14(11)17)15(18)13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,13,15,18H,4-7,9-10H2,1H3
InChIKeyJZSYHJXSTXQARD-UHFFFAOYSA-N
MW296.79 g/mol
LogP3.27
Rot. Bonds2

About (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol

(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (PubChem CID 115823322) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
PubChem CID115823322
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOC3)C2)ccc1Cl
InChIInChI=1S/C16H21ClO3/c1-11-8-12(2-3-14(11)17)15(18)13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,13,15,18H,4-7,9-10H2,1H3
InChIKeyJZSYHJXSTXQARD-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 (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol with MolForge

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Related Compounds

1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
(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
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol (CID 115823322) is (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is Cc1cc(C(O)C2CCOC3(CCOC3)C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is JZSYHJXSTXQARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-11-8-12(2-3-14(11)17)15(18)13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,13,15,18H,4-7,9-10H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol?
(4-chloro-3-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 (4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 115823322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).