2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol

C19H17FO2 — CID 143956200

IUPAC2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol
SMILESOc1ccccc1-c1ccccc1OCC1=C(F)CCC=C1
InChIInChI=1S/C19H17FO2/c20-17-10-4-1-7-14(17)13-22-19-12-6-3-9-16(19)15-8-2-5-11-18(15)21/h1-3,5-9,11-12,21H,4,10,13H2
InChIKeyLMSUYUZHKOAQPJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP5.01
Rot. Bonds4

About 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol

2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol (PubChem CID 143956200) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol.

Molecular Properties

Compound Name2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol
PubChem CID143956200
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol
SMILESOc1ccccc1-c1ccccc1OCC1=C(F)CCC=C1
InChIInChI=1S/C19H17FO2/c20-17-10-4-1-7-14(17)13-22-19-12-6-3-9-16(19)15-8-2-5-11-18(15)21/h1-3,5-9,11-12,21H,4,10,13H2
InChIKeyLMSUYUZHKOAQPJ-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
CID 142841188
2-[2-(3-methylbutoxy)phenyl]phenol
CID 58560440
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
[2-(2-hydroxyphenyl)phenyl] hypoiodite
CID 174339961
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-(2-ethoxyphenyl)phenol
CID 83129672
1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
CID 145449186
2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
CID 139995584
2-[[2-(2-hydroxyphenyl)phenoxy]phosphanyloxymethyl]phenol
CID 142850467
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol?
The IUPAC name of 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol (CID 143956200) is 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol.
What is the SMILES notation for 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol?
The canonical SMILES for 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol is Oc1ccccc1-c1ccccc1OCC1=C(F)CCC=C1.
What is the InChIKey of 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol?
The InChIKey is LMSUYUZHKOAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2/c20-17-10-4-1-7-14(17)13-22-19-12-6-3-9-16(19)15-8-2-5-11-18(15)21/h1-3,5-9,11-12,21H,4,10,13H2.
What are the key properties of 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol?
2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol has a molecular weight of 296.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol is sourced from PubChem (CID 143956200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).