4-(2-methoxy-5-methylphenyl)oxepan-4-ol

C14H20O3 — CID 65079088

IUPAC4-(2-methoxy-5-methylphenyl)oxepan-4-ol
SMILESCOc1ccc(C)cc1C1(O)CCCOCC1
InChIInChI=1S/C14H20O3/c1-11-4-5-13(16-2)12(10-11)14(15)6-3-8-17-9-7-14/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyPAVVRKNFNQGFBX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)oxepan-4-ol

4-(2-methoxy-5-methylphenyl)oxepan-4-ol (PubChem CID 65079088) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)oxepan-4-ol
PubChem CID65079088
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(2-methoxy-5-methylphenyl)oxepan-4-ol
SMILESCOc1ccc(C)cc1C1(O)CCCOCC1
InChIInChI=1S/C14H20O3/c1-11-4-5-13(16-2)12(10-11)14(15)6-3-8-17-9-7-14/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyPAVVRKNFNQGFBX-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
4-(2-amino-5-methylphenyl)oxan-4-ol
CID 117104406
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
4-(2-methoxy-5-methylphenyl)-1-propylpiperidin-4-ol
CID 55120385
1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735348
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124686138
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)oxepan-4-ol?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)oxepan-4-ol (CID 65079088) is 4-(2-methoxy-5-methylphenyl)oxepan-4-ol.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)oxepan-4-ol?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)oxepan-4-ol is COc1ccc(C)cc1C1(O)CCCOCC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)oxepan-4-ol?
The InChIKey is PAVVRKNFNQGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-4-5-13(16-2)12(10-11)14(15)6-3-8-17-9-7-14/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)oxepan-4-ol?
4-(2-methoxy-5-methylphenyl)oxepan-4-ol has a molecular weight of 236.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)oxepan-4-ol is sourced from PubChem (CID 65079088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).