(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane

C11H16Cl2O2 — CID 158865667

IUPAC(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
SMILESC.CC(C)Oc1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C10H12Cl2O2.CH4/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12;/h3-4,6,13H,5H2,1-2H3;1H4
InChIKeyJBEUZAUODZQPOI-UHFFFAOYSA-N
MW251.15 g/mol
LogP3.91
Rot. Bonds3

About (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane

(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane (PubChem CID 158865667) has the molecular formula C11H16Cl2O2 and a molecular weight of 251.15 g/mol. Its IUPAC name is (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane.

Molecular Properties

Compound Name(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
PubChem CID158865667
Molecular FormulaC11H16Cl2O2
Molecular Weight251.15 g/mol
Exact Mass250.05
IUPAC Name(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
SMILESC.CC(C)Oc1c(Cl)cc(CO)cc1Cl
InChIInChI=1S/C10H12Cl2O2.CH4/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12;/h3-4,6,13H,5H2,1-2H3;1H4
InChIKeyJBEUZAUODZQPOI-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
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1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
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1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
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3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
(3,4,5-trichlorophenyl)methanol
CID 23424143
4-(3,5-dichloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82550795
(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
CID 117291228
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
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1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
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[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane?
The IUPAC name of (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane (CID 158865667) is (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane.
What is the SMILES notation for (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane?
The canonical SMILES for (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane is C.CC(C)Oc1c(Cl)cc(CO)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane?
The InChIKey is JBEUZAUODZQPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2.CH4/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12;/h3-4,6,13H,5H2,1-2H3;1H4.
What are the key properties of (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane?
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane has a molecular weight of 251.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane is sourced from PubChem (CID 158865667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).