2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol

C15H24O3 — CID 175326369

IUPAC2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol
SMILESCC(C)(O)C(C)(C)OCCCOc1ccccc1
InChIInChI=1S/C15H24O3/c1-14(2,16)15(3,4)18-12-8-11-17-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3
InChIKeyMQMROIHCUGRMKA-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.02
Rot. Bonds7

About 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol

2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol (PubChem CID 175326369) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol
PubChem CID175326369
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol
SMILESCC(C)(O)C(C)(C)OCCCOc1ccccc1
InChIInChI=1S/C15H24O3/c1-14(2,16)15(3,4)18-12-8-11-17-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3
InChIKeyMQMROIHCUGRMKA-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.02
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

1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
2-phenoxyethylmercury
CID 163598363
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
CID 141071061
2-methyl-1-(3-phenoxypropoxy)propan-2-amine
CID 64537390
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol (CID 175326369) is 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol is CC(C)(O)C(C)(C)OCCCOc1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol?
The InChIKey is MQMROIHCUGRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(2,16)15(3,4)18-12-8-11-17-13-9-6-5-7-10-13/h5-7,9-10,16H,8,11-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol?
2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol is sourced from PubChem (CID 175326369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).