2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol

C14H21ClO2 — CID 117395472

IUPAC2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)C)c(C(C)(C)CO)cc1Cl
InChIInChI=1S/C14H21ClO2/c1-9(2)10-6-13(17-5)12(15)7-11(10)14(3,4)8-16/h6-7,9,16H,8H2,1-5H3
InChIKeyMBUTYKHTGAJJAU-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol

2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol (PubChem CID 117395472) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol
PubChem CID117395472
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)C)c(C(C)(C)CO)cc1Cl
InChIInChI=1S/C14H21ClO2/c1-9(2)10-6-13(17-5)12(15)7-11(10)14(3,4)8-16/h6-7,9,16H,8H2,1-5H3
InChIKeyMBUTYKHTGAJJAU-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
1-tert-butyl-5-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene
CID 176750552
5-chloro-4-methoxy-2-propan-2-ylbenzonitrile
CID 117299631
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705
3-(5-chloro-2-ethoxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117462479
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
CID 70851885

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol (CID 117395472) is 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol is COc1cc(C(C)C)c(C(C)(C)CO)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is MBUTYKHTGAJJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-9(2)10-6-13(17-5)12(15)7-11(10)14(3,4)8-16/h6-7,9,16H,8H2,1-5H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol?
2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117395472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).