(2R)-4-(4-butoxyphenyl)butan-2-ol

C14H22O2 — CID 93086996

IUPAC(2R)-4-(4-butoxyphenyl)butan-2-ol
SMILESCCCCOc1ccc(CC[C@@H](C)O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyJQYBIRVOVKGEGP-GFCCVEGCSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds7

About (2R)-4-(4-butoxyphenyl)butan-2-ol

(2R)-4-(4-butoxyphenyl)butan-2-ol (PubChem CID 93086996) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R)-4-(4-butoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(4-butoxyphenyl)butan-2-ol
PubChem CID93086996
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R)-4-(4-butoxyphenyl)butan-2-ol
SMILESCCCCOc1ccc(CC[C@@H](C)O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3/t12-/m1/s1
InChIKeyJQYBIRVOVKGEGP-GFCCVEGCSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
CID 82928939
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-butoxyphenyl)butan-2-ol?
The IUPAC name of (2R)-4-(4-butoxyphenyl)butan-2-ol (CID 93086996) is (2R)-4-(4-butoxyphenyl)butan-2-ol.
What is the SMILES notation for (2R)-4-(4-butoxyphenyl)butan-2-ol?
The canonical SMILES for (2R)-4-(4-butoxyphenyl)butan-2-ol is CCCCOc1ccc(CC[C@@H](C)O)cc1.
What is the InChIKey of (2R)-4-(4-butoxyphenyl)butan-2-ol?
The InChIKey is JQYBIRVOVKGEGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-11-16-14-9-7-13(8-10-14)6-5-12(2)15/h7-10,12,15H,3-6,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-4-(4-butoxyphenyl)butan-2-ol?
(2R)-4-(4-butoxyphenyl)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-butoxyphenyl)butan-2-ol is sourced from PubChem (CID 93086996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).