4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol

C20H26O2 — CID 14419511

IUPAC4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
SMILESCCCCCC[C@H](C)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-4-5-6-7-16(2)22-20-14-10-18(11-15-20)17-8-12-19(21)13-9-17/h8-16,21H,3-7H2,1-2H3/t16-/m0/s1
InChIKeyNVWSKZDCJFORNE-INIZCTEOSA-N
MW298.43 g/mol
LogP5.80
Rot. Bonds8

About 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol

4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol (PubChem CID 14419511) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol.

Molecular Properties

Compound Name4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
PubChem CID14419511
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
SMILESCCCCCC[C@H](C)Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-4-5-6-7-16(2)22-20-14-10-18(11-15-20)17-8-12-19(21)13-9-17/h8-16,21H,3-7H2,1-2H3/t16-/m0/s1
InChIKeyNVWSKZDCJFORNE-INIZCTEOSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.80
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

4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
decan-2-yloxybenzene
CID 12838331
4-heptan-2-yloxybenzenethiol
CID 19843806
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
2-(2-hydroxyphenyl)-4-[(2S)-octan-2-yl]oxyphenol
CID 139993636
4-octan-3-yloxyphenol
CID 54268247
4-[(2R)-1-butoxypropan-2-yl]oxyphenol
CID 14418920
[4-(4-octoxyphenyl)phenyl] 4-octan-2-yloxybenzoate
CID 14669812

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol?
The IUPAC name of 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol (CID 14419511) is 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol.
What is the SMILES notation for 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol?
The canonical SMILES for 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol is CCCCCC[C@H](C)Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol?
The InChIKey is NVWSKZDCJFORNE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-4-5-6-7-16(2)22-20-14-10-18(11-15-20)17-8-12-19(21)13-9-17/h8-16,21H,3-7H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol?
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol is sourced from PubChem (CID 14419511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).