2-chloro-4,5-di(propan-2-yloxy)phenol

C12H17ClO3 — CID 82268188

IUPAC2-chloro-4,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1cc(O)c(Cl)cc1OC(C)C
InChIInChI=1S/C12H17ClO3/c1-7(2)15-11-5-9(13)10(14)6-12(11)16-8(3)4/h5-8,14H,1-4H3
InChIKeyHPRSKLCNOMQWJF-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-4,5-di(propan-2-yloxy)phenol

2-chloro-4,5-di(propan-2-yloxy)phenol (PubChem CID 82268188) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-4,5-di(propan-2-yloxy)phenol.

Molecular Properties

Compound Name2-chloro-4,5-di(propan-2-yloxy)phenol
PubChem CID82268188
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name2-chloro-4,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1cc(O)c(Cl)cc1OC(C)C
InChIInChI=1S/C12H17ClO3/c1-7(2)15-11-5-9(13)10(14)6-12(11)16-8(3)4/h5-8,14H,1-4H3
InChIKeyHPRSKLCNOMQWJF-UHFFFAOYSA-N
XLogP3.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
CID 21466158
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
CID 117400657
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
2-chloro-4-(4-propan-2-yloxyphenyl)phenol
CID 83131131
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-di(propan-2-yloxy)phenol?
The IUPAC name of 2-chloro-4,5-di(propan-2-yloxy)phenol (CID 82268188) is 2-chloro-4,5-di(propan-2-yloxy)phenol.
What is the SMILES notation for 2-chloro-4,5-di(propan-2-yloxy)phenol?
The canonical SMILES for 2-chloro-4,5-di(propan-2-yloxy)phenol is CC(C)Oc1cc(O)c(Cl)cc1OC(C)C.
What is the InChIKey of 2-chloro-4,5-di(propan-2-yloxy)phenol?
The InChIKey is HPRSKLCNOMQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7(2)15-11-5-9(13)10(14)6-12(11)16-8(3)4/h5-8,14H,1-4H3.
What are the key properties of 2-chloro-4,5-di(propan-2-yloxy)phenol?
2-chloro-4,5-di(propan-2-yloxy)phenol has a molecular weight of 244.72 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-di(propan-2-yloxy)phenol is sourced from PubChem (CID 82268188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).