1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol

C18H21ClO2 — CID 43506602

IUPAC1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)cc1
InChIInChI=1S/C18H21ClO2/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13,20H,1-4H3
InChIKeyOZWXHGQUAARGOS-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.62
Rot. Bonds4

About 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol

1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol (PubChem CID 43506602) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
PubChem CID43506602
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)cc1
InChIInChI=1S/C18H21ClO2/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13,20H,1-4H3
InChIKeyOZWXHGQUAARGOS-UHFFFAOYSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529539
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
3-bromo-5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 102817950
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol (CID 43506602) is 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol is Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol?
The InChIKey is OZWXHGQUAARGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13,20H,1-4H3.
What are the key properties of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol?
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol has a molecular weight of 304.82 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol is sourced from PubChem (CID 43506602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).