2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol

C26H36O2 — CID 71617077

IUPAC2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol
SMILESCCCCCCCCCCc1ccc(OCC2(c3ccccc3O)CC2)cc1
InChIInChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-12-22-15-17-23(18-16-22)28-21-26(19-20-26)24-13-10-11-14-25(24)27/h10-11,13-18,27H,2-9,12,19-21H2,1H3
InChIKeyHUMRGEDILGCMEO-UHFFFAOYSA-N
MW380.57 g/mol
LogP7.19
Rot. Bonds13

About 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol

2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol (PubChem CID 71617077) has the molecular formula C26H36O2 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol.

Molecular Properties

Compound Name2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol
PubChem CID71617077
Molecular FormulaC26H36O2
Molecular Weight380.57 g/mol
Exact Mass380.27
IUPAC Name2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol
SMILESCCCCCCCCCCc1ccc(OCC2(c3ccccc3O)CC2)cc1
InChIInChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-12-22-15-17-23(18-16-22)28-21-26(19-20-26)24-13-10-11-14-25(24)27/h10-11,13-18,27H,2-9,12,19-21H2,1H3
InChIKeyHUMRGEDILGCMEO-UHFFFAOYSA-N
XLogP7.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.57
LogP ≤ 57.19
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

1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-hexoxy-4-pentylbenzene
CID 54277450
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
CID 59959489
CID 59959489
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
[1-[(4-butylphenoxy)methyl]cyclopropyl]methanethiol
CID 115493689
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-dodecylphenoxy)phenol
CID 134258509
hexylbenzene;hydrogen peroxide
CID 90001206
2-(4-octylphenoxy)acetic acid
CID 27145
2-methyl-2-[[4-[(E)-tridec-5-enyl]phenoxy]methyl]oxirane
CID 101312863
CID 70103153
CID 70103153

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol?
The IUPAC name of 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol (CID 71617077) is 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol.
What is the SMILES notation for 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol?
The canonical SMILES for 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol is CCCCCCCCCCc1ccc(OCC2(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol?
The InChIKey is HUMRGEDILGCMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-12-22-15-17-23(18-16-22)28-21-26(19-20-26)24-13-10-11-14-25(24)27/h10-11,13-18,27H,2-9,12,19-21H2,1H3.
What are the key properties of 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol?
2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol has a molecular weight of 380.57 g/mol, XLogP of 7.19, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-decylphenoxy)methyl]cyclopropyl]phenol is sourced from PubChem (CID 71617077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).