[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol

C12H17ClO3 — CID 61485306

IUPAC[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCC(C)OCCOc1ccc(Cl)cc1CO
InChIInChI=1S/C12H17ClO3/c1-9(2)15-5-6-16-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyMHFSHLMSDADWGC-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.64
Rot. Bonds6

About [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol

[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol (PubChem CID 61485306) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
PubChem CID61485306
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCC(C)OCCOc1ccc(Cl)cc1CO
InChIInChI=1S/C12H17ClO3/c1-9(2)15-5-6-16-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyMHFSHLMSDADWGC-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63364452
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
[4-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanol
CID 81237043
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
5-[4-chloro-2-(hydroxymethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65255404
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol (CID 61485306) is [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol is CC(C)OCCOc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The InChIKey is MHFSHLMSDADWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-9(2)15-5-6-16-12-4-3-11(13)7-10(12)8-14/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol?
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol has a molecular weight of 244.72 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol is sourced from PubChem (CID 61485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).