(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol

C10H12ClFO2 — CID 21200446

IUPAC(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cc(CO)c(F)cc1Cl
InChIInChI=1S/C10H12ClFO2/c1-6(2)14-10-3-7(5-13)9(12)4-8(10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyFRNZPDAAUZZGEP-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.76
Rot. Bonds3

About (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol

(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol (PubChem CID 21200446) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
PubChem CID21200446
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cc(CO)c(F)cc1Cl
InChIInChI=1S/C10H12ClFO2/c1-6(2)14-10-3-7(5-13)9(12)4-8(10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyFRNZPDAAUZZGEP-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914
ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171004298
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol (CID 21200446) is (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol is CC(C)Oc1cc(CO)c(F)cc1Cl.
What is the InChIKey of (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol?
The InChIKey is FRNZPDAAUZZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-6(2)14-10-3-7(5-13)9(12)4-8(10)11/h3-4,6,13H,5H2,1-2H3.
What are the key properties of (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol?
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol has a molecular weight of 218.65 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 21200446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).