3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol

C15H20O3 — CID 104662829

IUPAC3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
SMILESCOCCOc1ccccc1C1=CC(O)CCC1
InChIInChI=1S/C15H20O3/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyXRBBYHGNXHRSQE-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol

3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol (PubChem CID 104662829) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
PubChem CID104662829
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
SMILESCOCCOc1ccccc1C1=CC(O)CCC1
InChIInChI=1S/C15H20O3/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyXRBBYHGNXHRSQE-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.64
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

3-(2-methoxyphenyl)cyclohept-2-en-1-ol
CID 107383616
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
CID 10822113
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol (CID 104662829) is 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol is COCCOc1ccccc1C1=CC(O)CCC1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol?
The InChIKey is XRBBYHGNXHRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-9-10-18-15-8-3-2-7-14(15)12-5-4-6-13(16)11-12/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol?
3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 104662829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).