6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C15H22O3 — CID 11831848

IUPAC6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCOc1ccc2c(c1)C(O)CC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-4-5-8-17-11-6-7-14-12(9-11)13(16)10-15(2,3)18-14/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyCGEFNJDIMJVUNH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.46
Rot. Bonds4

About 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 11831848) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID11831848
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCCCCOc1ccc2c(c1)C(O)CC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-4-5-8-17-11-6-7-14-12(9-11)13(16)10-15(2,3)18-14/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyCGEFNJDIMJVUNH-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.46
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

CID 68876636
CID 68876636
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 65365060
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
7-but-2-ynoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 62312344
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 11831848) is 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is CCCCOc1ccc2c(c1)C(O)CC(C)(C)O2.
What is the InChIKey of 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is CGEFNJDIMJVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-5-8-17-11-6-7-14-12(9-11)13(16)10-15(2,3)18-14/h6-7,9,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 250.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 11831848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).