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

C12H17ClO3 — CID 82267991

IUPAC4-chloro-2,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1cc(Cl)c(OC(C)C)cc1O
InChIInChI=1S/C12H17ClO3/c1-7(2)15-11-6-10(14)12(5-9(11)13)16-8(3)4/h5-8,14H,1-4H3
InChIKeySFXQLRHFNVOGTC-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.62
Rot. Bonds4

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

4-chloro-2,5-di(propan-2-yloxy)phenol (PubChem CID 82267991) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-2,5-di(propan-2-yloxy)phenol.

Molecular Properties

Compound Name4-chloro-2,5-di(propan-2-yloxy)phenol
PubChem CID82267991
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name4-chloro-2,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1cc(Cl)c(OC(C)C)cc1O
InChIInChI=1S/C12H17ClO3/c1-7(2)15-11-6-10(14)12(5-9(11)13)16-8(3)4/h5-8,14H,1-4H3
InChIKeySFXQLRHFNVOGTC-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

2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
CID 139884509
2,5-dichloro-4-(4-propan-2-yloxyphenoxy)phenol
CID 21466158
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
4-fluoro-5-methyl-2-propan-2-yloxyphenol
CID 125116043
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-di(propan-2-yloxy)phenol?
The IUPAC name of 4-chloro-2,5-di(propan-2-yloxy)phenol (CID 82267991) is 4-chloro-2,5-di(propan-2-yloxy)phenol.
What is the SMILES notation for 4-chloro-2,5-di(propan-2-yloxy)phenol?
The canonical SMILES for 4-chloro-2,5-di(propan-2-yloxy)phenol is CC(C)Oc1cc(Cl)c(OC(C)C)cc1O.
What is the InChIKey of 4-chloro-2,5-di(propan-2-yloxy)phenol?
The InChIKey is SFXQLRHFNVOGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-7(2)15-11-6-10(14)12(5-9(11)13)16-8(3)4/h5-8,14H,1-4H3.
What are the key properties of 4-chloro-2,5-di(propan-2-yloxy)phenol?
4-chloro-2,5-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 4-chloro-2,5-di(propan-2-yloxy)phenol is sourced from PubChem (CID 82267991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).