3-[(4-phenylphenoxy)methyl]pentan-3-ol

C18H22O2 — CID 114496033

IUPAC3-[(4-phenylphenoxy)methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-3-18(19,4-2)14-20-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,19H,3-4,14H2,1-2H3
InChIKeyYTYFXJJGALLPEJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.28
Rot. Bonds6

About 3-[(4-phenylphenoxy)methyl]pentan-3-ol

3-[(4-phenylphenoxy)methyl]pentan-3-ol (PubChem CID 114496033) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(4-phenylphenoxy)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4-phenylphenoxy)methyl]pentan-3-ol
PubChem CID114496033
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-[(4-phenylphenoxy)methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-3-18(19,4-2)14-20-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,19H,3-4,14H2,1-2H3
InChIKeyYTYFXJJGALLPEJ-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
CID 115919540
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pentan-3-ol
CID 104930422
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
CID 114493928
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
(4-phenylphenoxy)methanol
CID 71028246
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1-pentoxy-4-phenylbenzene
CID 7021155

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenoxy)methyl]pentan-3-ol?
The IUPAC name of 3-[(4-phenylphenoxy)methyl]pentan-3-ol (CID 114496033) is 3-[(4-phenylphenoxy)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4-phenylphenoxy)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4-phenylphenoxy)methyl]pentan-3-ol is CCC(O)(CC)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenoxy)methyl]pentan-3-ol?
The InChIKey is YTYFXJJGALLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-18(19,4-2)14-20-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13,19H,3-4,14H2,1-2H3.
What are the key properties of 3-[(4-phenylphenoxy)methyl]pentan-3-ol?
3-[(4-phenylphenoxy)methyl]pentan-3-ol has a molecular weight of 270.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenoxy)methyl]pentan-3-ol is sourced from PubChem (CID 114496033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).