(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol

C17H26O4 — CID 116753305

IUPAC(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)C1(OC)CCCCC1
InChIInChI=1S/C17H26O4/c1-19-12-13-21-15-9-5-4-8-14(15)16(18)17(20-2)10-6-3-7-11-17/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3
InChIKeyYRZNDLXSDKAUDV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.09
Rot. Bonds7

About (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol

(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol (PubChem CID 116753305) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
PubChem CID116753305
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)C1(OC)CCCCC1
InChIInChI=1S/C17H26O4/c1-19-12-13-21-15-9-5-4-8-14(15)16(18)17(20-2)10-6-3-7-11-17/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3
InChIKeyYRZNDLXSDKAUDV-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclohexyl)methyl]hydrazine
CID 106831356
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659592
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol (CID 116753305) is (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccccc1C(O)C1(OC)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is YRZNDLXSDKAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-19-12-13-21-15-9-5-4-8-14(15)16(18)17(20-2)10-6-3-7-11-17/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 294.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 116753305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).