4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol

C14H22O3 — CID 57154335

IUPAC4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol
SMILESCCCO[C@@H](C)COCCc1ccc(O)cc1
InChIInChI=1S/C14H22O3/c1-3-9-17-12(2)11-16-10-8-13-4-6-14(15)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyCATRSVRDMXBKIB-LBPRGKRZSA-N
MW238.33 g/mol
LogP2.77
Rot. Bonds8

About 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol

4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol (PubChem CID 57154335) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol
PubChem CID57154335
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol
SMILESCCCO[C@@H](C)COCCc1ccc(O)cc1
InChIInChI=1S/C14H22O3/c1-3-9-17-12(2)11-16-10-8-13-4-6-14(15)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyCATRSVRDMXBKIB-LBPRGKRZSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.77
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

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CID 87065837
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4-[(2R)-1-butoxypropan-2-yl]oxyphenol
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4-(5-propoxypentyl)phenol
CID 175182886
1-(2-propoxypropoxy)pentane
CID 22002926
4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol
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4-[2-[2-hydroxy-6-(triethoxymethyl)tetradecoxy]ethyl]phenol
CID 150956791
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488443
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
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2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol?
The IUPAC name of 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol (CID 57154335) is 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol?
The canonical SMILES for 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol is CCCO[C@@H](C)COCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol?
The InChIKey is CATRSVRDMXBKIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-9-17-12(2)11-16-10-8-13-4-6-14(15)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol?
4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-propoxypropoxy]ethyl]phenol is sourced from PubChem (CID 57154335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).