1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol

C23H30O4 — CID 66788783

IUPAC1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol
SMILESCCCCCC(O)C1CCOC(c2ccccc2)(C(O)c2ccccc2)O1
InChIInChI=1S/C23H30O4/c1-2-3-6-15-20(24)21-16-17-26-23(27-21,19-13-9-5-10-14-19)22(25)18-11-7-4-8-12-18/h4-5,7-14,20-22,24-25H,2-3,6,15-17H2,1H3
InChIKeyABWJYGVFOZXGLY-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.32
Rot. Bonds8

About 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol

1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol (PubChem CID 66788783) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol.

Molecular Properties

Compound Name1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol
PubChem CID66788783
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol
SMILESCCCCCC(O)C1CCOC(c2ccccc2)(C(O)c2ccccc2)O1
InChIInChI=1S/C23H30O4/c1-2-3-6-15-20(24)21-16-17-26-23(27-21,19-13-9-5-10-14-19)22(25)18-11-7-4-8-12-18/h4-5,7-14,20-22,24-25H,2-3,6,15-17H2,1H3
InChIKeyABWJYGVFOZXGLY-UHFFFAOYSA-N
XLogP4.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
CID 59444461
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603
(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
CID 129360239
phenyl-(2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl)methanol
CID 56690735
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
1-[(2R,3S)-2-phenyloxetan-3-yl]hexan-1-ol
CID 15259342
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059

Frequently Asked Questions

What is the IUPAC name of 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol?
The IUPAC name of 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol (CID 66788783) is 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol.
What is the SMILES notation for 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol?
The canonical SMILES for 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol is CCCCCC(O)C1CCOC(c2ccccc2)(C(O)c2ccccc2)O1.
What is the InChIKey of 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol?
The InChIKey is ABWJYGVFOZXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-2-3-6-15-20(24)21-16-17-26-23(27-21,19-13-9-5-10-14-19)22(25)18-11-7-4-8-12-18/h4-5,7-14,20-22,24-25H,2-3,6,15-17H2,1H3.
What are the key properties of 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol?
1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol has a molecular weight of 370.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[hydroxy(phenyl)methyl]-2-phenyl-1,3-dioxan-4-yl]hexan-1-ol is sourced from PubChem (CID 66788783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).